Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7]dec-2-ylidene)butanedioate

The crystal structure of the title compound, C₂₆H₃₄O₄, shows a reversible phase transition at about 178 K. The structure of the high-temperature phase contains two independent mol­ecules related by pseudosymmetry elements. Cooling through the phase-transition temperature results in a doubling of the c axis. The low-temperature structure contains four independent mol­ecules related by pseudosymmetry elements. The phase transition results in a rearrangement of some weak intermolecular C-H...O interactions. The number of very weak C-H...O interactions, with H...O distances between 2.8 and 2.9 Å, is increased in the low-temperature structure.

S1. Comment

The title compound, (I), shows a reversible phase transition at about 178 K. We present here the results of X-ray crystal structure analyses of both the high- and low-temperature phases. \sch

The crystal structure of the high-temperature phase has been determined at 204 K. It contains two crystallographically independent molecules, A and B. The dimensions of both molecules are very similar (Fig. 1). A close inspection of the atomic coordinates shows that the coordinates of molecule B are related to those of molecule A by the approximate relations x_B = 1/2 + x_A, y_B = 1/4 - y_A and z_B = z_A. This corresponds to a localized pseudo a-glide plane about y = 1/8. Molecule B is related to symmetry equivalents of molecule A by an additional localized pseudo-translation vector of (1/2, 3/4, 1/2), a localized pseudo-inversion centre about (1/4, 3/8, 1/4) and a localized pseudo-twofold screw axis about (1/4, y, 0) with a translation vector of b/4.

The C3—C7 and C4—C17 bonds have lengths of about 1.34 Å and correspond to double bonds. The angle between the best planes through atoms C3 and C4 is 69.83 (5)° for both molecules A and B. Atoms C4A and C4B show small distortions from planarity: both atoms deviate by about 0.056 Å from the plane through its three neighbours. Atoms C3A and C3B are almost planar.

Each molecule shows two intramolecular C—H···O contacts, with H···O distances between 2.32 and 2.36 Å (C8—H8···O2 and C18—H18···O3; Table 1). The crystal packing shows a considerable number of weak intermolecular electrostatic C—H···O interactions. The intermolecular H···O distances are about 2.65 to 2.70 Å and thus are rather long.

The pseudo-symmetry between molecules A and B is a result of the very similar packing arrangements of both molecules. Both molecules are arranged into almost identical chains about a twofold screw axis: molecule A about (0, y, 1/4) and molecule B about (1/2, y, 1/4). Molecules within these chains are connected by two intermolecular C—H···O interactions. Adjacent chains displaced in the c direction form 2₁/c layers. The 2₁/c layer at -1/4 < x < 1/4 consists of molecules A only (Fig. 2a). A C26A—H26A···O2A interaction connects adjacent chains in this layer. The 2₁/c layer at 1/4 < x < 3/4 consists of molecules B only (Fig. 2 b). Adjacent chains in this layer show a displacement of b/2 compared with the layer consisting of molecule A. As a result, no C26—H26···O2 interactions are found in this layer. Two intermolecular C6—H6···O4 interactions connect the layers made up of molecules A and B.

A doubling of the cell volume is observed on cooling through the phase-transition temperature. Measurement of the cell constants just above and below the transition temperature showed no significant changes in the cell parameters a, b and β, while an almost exact doubling was observed for the length of the c axis.

The structure of the low-temperature phase has been determined at 142 K. It contains four independent molecules, A, B, C and D. The dimensions of the four molecules are very similar. Again, short intramolecular C8—H8···O2 and C18—H18···O3 contacts are found (Table 2).

The crystal packing in the low-temperature phase is rather similar to that observed in the high-temperature structure. The molecules are again arranged into chains about screw axes in the b direction (Fig. 3). Molecules A and B alternate in a chain about a pseudo twofold screw axis about (1/4, y, 0). Molecule C forms a chain about a screw axis along (1/4, y, 1/4) and molecule D forms a chain about a screw axis along (1/4, y, 3/4). Intermolecular C—H···O interactions within these chains and intermolecular C6—H6···O4 interactions between layers displaced by a/2 are similar to those observed in the high-temperature structure.

There is, however, a striking difference between the high- and low-temperature structures: each fourth chain in the low-temperature structure is translated by b/2, compared with the high-temperature structure. This results in a rearrangement of the C26—H26···O2 interactions between neighbouring chains. The number of such interactions, however, is the same as in the high-temperature structure. Thus, there would be no overall stabilization of the structure upon cooling through the phase-transition temperature. A stabilization of the low-temperature structure, however, may result from an increased number of very long intermolecular C—H···O interactions, with H···O distances in the range 2.8–2.9 Å. Five such interactions are found in the high-temperature structure. Due to the cell doubling there should be ten of them in the low-temperature structure. In fact, the low-temperature structure shows fourteen such weak interactions. Eleven of them have C—H—O angles in the range 150–170°. Desiraju & Steiner (1999) have shown that such long C—H···O interactions may play a significant role in crystal packing.

Related literature

For related literature, see: Desiraju & Steiner (1999); Jefferson & Warkentin (1992); Sheldrick (1997).

S2. Experimental

Compound (I) was obtained by a procedure similar to that described by Jefferson & Warkentin (1992) for other compounds. 1-Acetyl-2-adamantenylidenehydrazone was prepared by refluxing a solution of acetylhydrazine (2.47 g, 33.3 mmol) and adamantone (5.00 g, 33.3 mmol) in ethanol (20 ml), with the addition of Na₂SO₄ (4.00 g, 28.2 mmol) and catalytic amounts of acetic acid (0.1 ml, 1.75 mmol) for 24 h. The solution was then removed under vacuum and the residue was recrystallized from ethanol to afford the acetylhydrazone (4.77 g, 23.1 mmol) in 69% yield as a mixture of its E– and Z-isomers. Reaction of the latter acetylhydrazone (4.47 g, 21.7 mmol) and lead tetraacetate (10.0 g, 22.6 mmol) in absolute methanol (94 ml) afforded 5-methoxy-5-methyl-spiro(Δ³-1,3,4-oxadiazolin-2,2'-tricyclo[3.3.1.1^3,7]- decane) (1.43 g, 6.05 mmol, 28%) as a racemic mixture. A solution of the latter oxadiazoline (1.00 g, 4.23 mmol) and dimethyl acetylenedicarboxylate (1.50 g, 10.6 mmol) in diethylether (200 ml) was irradiated with a medium pressure mercury lamp at room temperature for 11 h. After the volatiles had been removed in vacuo, column chromatography (silica gel, hexane/ethyl acetate 30:1) provided 296 mg (34%) of (I). Single crystals of (I) were obtained by slow evaporation of a solution in pentane/dichloromethane at 273 K.

S3. Refinement

The h0l reflections at 204 K were absent for l odd and were extremely weak, but not absent for h odd. As 0k0 reflections were absent for k odd, the space group could be determined as P 2₁/c. The h0l reflections with h odd or l odd at 142 K showed no significant net intensity. Thus, the space group could not be derived from the systematic absent reflections alone. The structure determination at 142 K was attempted with SHELXS97 (Sheldrick, 1997) using the TREF 100000 option in space groups P2₁/a, P2₁/c and P2₁/n. No meaningful solution was obtained in P2₁/c, a solution corresponding to a partly disordered structure was obtained in P2₁/a and a promising solution with four independent ordered molecules was obtained in P2₁/n. Thus, P2₁/n was taken as the correct space group. The H atoms were taken from a difference Fourier synthesis and were refined with fixed individual displacement parameters [U(H) = 1.2U_eq(C) and U(H) = 1.5U_eq(C_methyl)] using a riding model with fixed distances: H—C_methyl = 0.97, H—C_secondary = 0.98 and H—C_primary = 0.99 Å at 204 K, and H—C_methyl = 0.98, H—C_secondary = 0.99 and H—C_primary = 1.00 Å at 142 K. The torsion angles about the C—O bonds of the methoxy groups were refined.

Computing details

For both compounds, data collection: SMART (Siemens, 1995); cell refinement: SMART; data reduction: SAINT (Siemens, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL (Sheldrick, 1996); software used to prepare material for publication: SHELXL97.

Figures

	Fig. 1. The structures of the two independent molecules of (I) at 204 K with 50% probability displacement ellipsoids, (a) molecule A, (b) molecule B.
	Fig. 2. The crystal packing of (I) at 204 K viewed down a, (a) section with -1/4 < x < 1/4 containing only molecules of type A, (b) section with 1/4 < x < 3/4 containing only molecules of type B.
	Fig. 3. The crystal packing of (I) at 142 K viewed down a. Section with 0 < x < 1/2.

(I_at_204K) dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7]dec-2-ylidene)butanedioate

Crystal data

C26H34O4	F(000) = 1776
Mr = 410.53	Dx = 1.273 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 13.5686 (9) Å	Cell parameters from 318 reflections
b = 16.0982 (18) Å	θ = 3–23°
c = 19.615 (3) Å	µ = 0.08 mm^−1
β = 91.086 (12)°	T = 204 K
V = 4283.7 (8) Å^3	Block, colourless
Z = 8	0.52 × 0.44 × 0.40 mm

Data collection

Siemens SMART diffractometer	12064 independent reflections
Radiation source: normal-focus sealed tube	7584 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.052
ω scans	θmax = 30.0°, θmin = 2.0°
Absorption correction: numerical using six faces (SHELXTL; Sheldrick, 1996)	h = −18→18
Tmin = 0.959, Tmax = 0.971	k = −20→22
74545 measured reflections	l = −27→26

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.059	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.159	H-atom parameters constrained
S = 1.14	w = 1/[σ^2(Fo^2) + (0.06P)^2 + 1.3P] where P = (Fo^2 + 2Fc^2)/3
12064 reflections	(Δ/σ)max < 0.001
545 parameters	Δρmax = 0.55 e Å^−3
0 restraints	Δρmin = −0.26 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
O1A	0.11766 (8)	0.32697 (7)	0.20005 (6)	0.0353 (3)
O2A	0.00422 (11)	0.35012 (8)	0.11792 (6)	0.0503 (4)
O3A	−0.16717 (9)	0.30829 (7)	0.34144 (6)	0.0385 (3)
O4A	−0.09235 (11)	0.39162 (8)	0.26816 (7)	0.0497 (3)
C1A	0.17574 (13)	0.39164 (11)	0.16971 (10)	0.0423 (4)
H1A	0.1412	0.4442	0.1731	0.063*
H1B	0.1862	0.3787	0.1221	0.063*
H1C	0.2389	0.3955	0.1935	0.063*
C2A	0.03093 (12)	0.31222 (9)	0.16789 (7)	0.0295 (3)
C3A	−0.02451 (11)	0.24356 (9)	0.20137 (7)	0.0252 (3)
C4A	−0.03588 (10)	0.25217 (9)	0.27729 (7)	0.0239 (3)
C5A	−0.09899 (11)	0.32500 (9)	0.29515 (7)	0.0262 (3)
C6A	−0.22840 (14)	0.37758 (12)	0.36077 (10)	0.0447 (4)
H6A	−0.2751	0.3595	0.3945	0.067*
H6B	−0.2639	0.3984	0.3209	0.067*
H6C	−0.1873	0.4214	0.3799	0.067*
C7A	−0.06165 (10)	0.18150 (9)	0.16327 (7)	0.0237 (3)
C8A	−0.04528 (12)	0.17123 (10)	0.08750 (7)	0.0300 (3)
H8A	−0.0011	0.2156	0.0710	0.036*
C9A	−0.14541 (13)	0.17603 (11)	0.04979 (8)	0.0370 (4)
H9A	−0.1757	0.2303	0.0578	0.044*
H9B	−0.1361	0.1697	0.0006	0.044*
C10A	−0.21279 (12)	0.10720 (12)	0.07553 (8)	0.0367 (4)
H10A	−0.2775	0.1105	0.0515	0.044*
C11A	−0.16613 (12)	0.02247 (11)	0.06230 (8)	0.0367 (4)
H11A	−0.1567	0.0150	0.0133	0.044*
H11B	−0.2099	−0.0217	0.0781	0.044*
C12A	−0.06656 (12)	0.01682 (10)	0.10012 (8)	0.0339 (4)
H12A	−0.0361	−0.0379	0.0914	0.041*
C13A	−0.08096 (13)	0.02798 (10)	0.17673 (8)	0.0338 (4)
H13A	−0.0173	0.0233	0.2008	0.041*
H13B	−0.1244	−0.0157	0.1936	0.041*
C14A	−0.12652 (11)	0.11352 (9)	0.19059 (7)	0.0267 (3)
H14A	−0.1356	0.1211	0.2402	0.032*
C15A	−0.22721 (11)	0.11853 (12)	0.15252 (8)	0.0374 (4)
H15B	−0.2711	0.0751	0.1694	0.045*
H15A	−0.2578	0.1725	0.1611	0.045*
C16A	0.00119 (11)	0.08584 (11)	0.07518 (8)	0.0353 (4)
H16B	0.0128	0.0786	0.0264	0.042*
H16A	0.0649	0.0825	0.0994	0.042*
C17A	0.01352 (10)	0.20704 (9)	0.32415 (7)	0.0232 (3)
C18A	0.01119 (11)	0.22184 (10)	0.40057 (7)	0.0269 (3)
H18A	−0.0335	0.2686	0.4107	0.032*
C19A	0.11628 (11)	0.24193 (11)	0.42617 (8)	0.0352 (4)
H19B	0.1397	0.2926	0.4040	0.042*
H19A	0.1161	0.2516	0.4755	0.042*
C20A	0.18509 (12)	0.17006 (13)	0.41024 (9)	0.0458 (5)
H20A	0.2525	0.1834	0.4271	0.055*
C21A	0.14869 (17)	0.09130 (14)	0.44539 (9)	0.0583 (6)
H21A	0.1483	0.0998	0.4948	0.070*
H21B	0.1932	0.0450	0.4357	0.070*
C22A	0.04454 (17)	0.07051 (12)	0.41939 (9)	0.0493 (5)
H22A	0.0212	0.0194	0.4420	0.059*
C23A	0.04500 (15)	0.05718 (10)	0.34203 (8)	0.0392 (4)
H23A	−0.0217	0.0438	0.3255	0.047*
H23B	0.0883	0.0105	0.3311	0.047*
C24A	0.08155 (11)	0.13625 (9)	0.30667 (7)	0.0254 (3)
H24A	0.0818	0.1279	0.2567	0.031*
C25A	0.18635 (11)	0.15628 (12)	0.33306 (9)	0.0395 (4)
H25A	0.2307	0.1102	0.3225	0.047*
H25B	0.2107	0.2063	0.3105	0.047*
C26A	−0.02460 (13)	0.14250 (12)	0.43566 (8)	0.0417 (4)
H26A	−0.0260	0.1512	0.4851	0.050*
H26B	−0.0916	0.1292	0.4197	0.050*
O1B	0.61759 (8)	−0.08007 (7)	0.19966 (6)	0.0337 (3)
O2B	0.50399 (10)	−0.10200 (7)	0.11747 (6)	0.0410 (3)
O3B	0.33427 (8)	−0.05163 (7)	0.34085 (6)	0.0374 (3)
O4B	0.40637 (10)	−0.13749 (7)	0.26816 (7)	0.0480 (3)
C1B	0.67351 (13)	−0.14743 (11)	0.17138 (10)	0.0408 (4)
H1F	0.7389	−0.1484	0.1923	0.061*
H1E	0.6790	−0.1396	0.1226	0.061*
H1D	0.6404	−0.1996	0.1802	0.061*
C2B	0.53165 (11)	−0.06364 (9)	0.16697 (7)	0.0256 (3)
C3B	0.47839 (10)	0.00723 (9)	0.19927 (7)	0.0226 (3)
C4B	0.46664 (10)	0.00078 (8)	0.27526 (7)	0.0217 (3)
C5B	0.40128 (11)	−0.07043 (9)	0.29441 (7)	0.0242 (3)
C6B	0.27133 (13)	−0.11954 (12)	0.36100 (10)	0.0447 (4)
H6F	0.3116	−0.1650	0.3782	0.067*
H6E	0.2326	−0.1383	0.3219	0.067*
H6D	0.2276	−0.1009	0.3964	0.067*
C7B	0.44248 (10)	0.06886 (9)	0.16001 (7)	0.0229 (3)
C8B	0.45929 (11)	0.07664 (10)	0.08411 (7)	0.0279 (3)
H8B	0.5035	0.0318	0.0687	0.033*
C9B	0.35881 (12)	0.07026 (11)	0.04677 (8)	0.0351 (4)
H9D	0.3679	0.0751	−0.0025	0.042*
H9C	0.3289	0.0161	0.0560	0.042*
C10B	0.29112 (12)	0.13951 (12)	0.07111 (8)	0.0377 (4)
H10B	0.2263	0.1351	0.0474	0.045*
C11B	0.33775 (13)	0.22378 (11)	0.05515 (9)	0.0406 (4)
H11D	0.3470	0.2289	0.0059	0.049*
H11C	0.2939	0.2686	0.0696	0.049*
C12B	0.43727 (13)	0.23142 (10)	0.09255 (8)	0.0367 (4)
H12B	0.4673	0.2859	0.0822	0.044*
C13B	0.42374 (13)	0.22326 (10)	0.16958 (8)	0.0347 (4)
H13D	0.3805	0.2677	0.1856	0.042*
H13C	0.4877	0.2288	0.1932	0.042*
C14B	0.37830 (11)	0.13824 (9)	0.18606 (7)	0.0273 (3)
H14B	0.3697	0.1326	0.2358	0.033*
C15B	0.27743 (12)	0.13135 (12)	0.14835 (8)	0.0365 (4)
H15D	0.2471	0.0776	0.1586	0.044*
H15C	0.2334	0.1753	0.1642	0.044*
C16B	0.50524 (12)	0.16176 (11)	0.06939 (8)	0.0346 (4)
H16D	0.5690	0.1663	0.0934	0.042*
H16C	0.5166	0.1671	0.0204	0.042*
C17B	0.51725 (10)	0.04645 (8)	0.32128 (7)	0.0206 (3)
C18B	0.51367 (10)	0.03471 (9)	0.39800 (7)	0.0235 (3)
H18B	0.4666	−0.0100	0.4092	0.028*
C19B	0.61757 (11)	0.01214 (10)	0.42467 (8)	0.0322 (3)
H19D	0.6165	0.0044	0.4742	0.039*
H19C	0.6389	−0.0401	0.4040	0.039*
C20B	0.68972 (12)	0.08123 (12)	0.40718 (9)	0.0398 (4)
H20B	0.7564	0.0665	0.4246	0.048*
C21B	0.65676 (15)	0.16250 (12)	0.43970 (9)	0.0480 (5)
H21D	0.7035	0.2068	0.4289	0.058*
H21C	0.6556	0.1562	0.4894	0.058*
C22B	0.55388 (15)	0.18573 (10)	0.41267 (8)	0.0407 (4)
H22B	0.5328	0.2385	0.4338	0.049*
C23B	0.55586 (13)	0.19608 (9)	0.33524 (8)	0.0333 (4)
H23D	0.6017	0.2406	0.3234	0.040*
H23C	0.4901	0.2113	0.3180	0.040*
C24B	0.58861 (10)	0.11432 (9)	0.30222 (7)	0.0235 (3)
H24B	0.5897	0.1206	0.2520	0.028*
C25B	0.69212 (11)	0.09216 (11)	0.32969 (8)	0.0359 (4)
H25D	0.7146	0.0406	0.3084	0.043*
H25C	0.7385	0.1364	0.3182	0.043*
C26B	0.48127 (13)	0.11699 (10)	0.43064 (8)	0.0353 (4)
H26D	0.4151	0.1318	0.4139	0.042*
H26C	0.4790	0.1106	0.4803	0.042*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O1A	0.0344 (6)	0.0326 (6)	0.0390 (6)	−0.0063 (5)	0.0030 (5)	0.0073 (5)
O2A	0.0749 (9)	0.0434 (7)	0.0320 (6)	−0.0203 (7)	−0.0115 (6)	0.0140 (6)
O3A	0.0389 (6)	0.0344 (6)	0.0428 (7)	0.0092 (5)	0.0124 (5)	0.0006 (5)
O4A	0.0652 (9)	0.0316 (7)	0.0526 (8)	0.0082 (6)	0.0139 (7)	0.0086 (6)
C1A	0.0392 (9)	0.0347 (9)	0.0532 (11)	−0.0100 (7)	0.0093 (8)	0.0055 (8)
C2A	0.0413 (9)	0.0263 (7)	0.0209 (7)	−0.0058 (6)	0.0030 (6)	−0.0028 (6)
C3A	0.0307 (7)	0.0262 (7)	0.0187 (7)	−0.0026 (6)	0.0023 (6)	0.0006 (5)
C4A	0.0282 (7)	0.0242 (7)	0.0192 (7)	−0.0037 (6)	0.0021 (5)	−0.0028 (5)
C5A	0.0310 (7)	0.0252 (7)	0.0223 (7)	−0.0009 (6)	−0.0040 (6)	−0.0033 (6)
C6A	0.0442 (10)	0.0461 (10)	0.0439 (10)	0.0189 (8)	0.0030 (8)	−0.0074 (8)
C7A	0.0264 (7)	0.0280 (7)	0.0169 (6)	−0.0020 (6)	0.0040 (5)	−0.0005 (5)
C8A	0.0352 (8)	0.0379 (8)	0.0173 (7)	−0.0094 (7)	0.0070 (6)	−0.0041 (6)
C9A	0.0465 (10)	0.0443 (10)	0.0200 (7)	0.0023 (8)	−0.0023 (7)	−0.0015 (7)
C10A	0.0256 (7)	0.0579 (11)	0.0265 (8)	−0.0018 (7)	−0.0031 (6)	−0.0073 (7)
C11A	0.0365 (9)	0.0464 (10)	0.0270 (8)	−0.0133 (7)	−0.0014 (7)	−0.0096 (7)
C12A	0.0400 (9)	0.0326 (8)	0.0289 (8)	0.0011 (7)	−0.0028 (7)	−0.0099 (6)
C13A	0.0462 (9)	0.0284 (8)	0.0264 (8)	−0.0065 (7)	−0.0054 (7)	−0.0021 (6)
C14A	0.0288 (7)	0.0350 (8)	0.0166 (6)	−0.0083 (6)	0.0048 (5)	−0.0031 (6)
C15A	0.0253 (8)	0.0562 (11)	0.0308 (8)	−0.0046 (7)	0.0063 (6)	−0.0086 (7)
C16A	0.0272 (8)	0.0518 (10)	0.0270 (8)	−0.0014 (7)	0.0044 (6)	−0.0151 (7)
C17A	0.0233 (7)	0.0264 (7)	0.0200 (7)	−0.0057 (6)	0.0043 (5)	−0.0040 (5)
C18A	0.0250 (7)	0.0368 (8)	0.0189 (7)	0.0019 (6)	0.0011 (5)	−0.0054 (6)
C19A	0.0308 (8)	0.0435 (9)	0.0313 (8)	−0.0029 (7)	−0.0018 (6)	−0.0177 (7)
C20A	0.0269 (8)	0.0670 (13)	0.0430 (10)	0.0098 (8)	−0.0117 (7)	−0.0267 (9)
C21A	0.0841 (15)	0.0590 (13)	0.0309 (9)	0.0331 (12)	−0.0227 (10)	−0.0113 (9)
C22A	0.0862 (15)	0.0376 (10)	0.0239 (8)	−0.0104 (10)	−0.0038 (9)	0.0071 (7)
C23A	0.0632 (11)	0.0277 (8)	0.0264 (8)	−0.0091 (8)	−0.0057 (8)	−0.0002 (6)
C24A	0.0299 (7)	0.0261 (7)	0.0203 (7)	−0.0018 (6)	0.0008 (6)	−0.0046 (5)
C25A	0.0252 (8)	0.0508 (10)	0.0426 (10)	0.0015 (7)	0.0040 (7)	−0.0187 (8)
C26A	0.0448 (10)	0.0623 (12)	0.0181 (7)	−0.0160 (9)	0.0051 (7)	0.0020 (7)
O1B	0.0318 (6)	0.0309 (6)	0.0383 (6)	0.0087 (5)	−0.0019 (5)	−0.0076 (5)
O2B	0.0596 (8)	0.0353 (6)	0.0277 (6)	0.0116 (6)	−0.0066 (5)	−0.0111 (5)
O3B	0.0345 (6)	0.0329 (6)	0.0451 (7)	−0.0091 (5)	0.0125 (5)	−0.0022 (5)
O4B	0.0689 (9)	0.0281 (6)	0.0474 (7)	−0.0109 (6)	0.0159 (7)	−0.0092 (5)
C1B	0.0374 (9)	0.0323 (9)	0.0529 (11)	0.0121 (7)	0.0087 (8)	−0.0042 (8)
C2B	0.0338 (8)	0.0231 (7)	0.0200 (7)	0.0033 (6)	0.0036 (6)	0.0027 (5)
C3B	0.0271 (7)	0.0227 (7)	0.0180 (6)	0.0014 (5)	0.0015 (5)	−0.0018 (5)
C4B	0.0263 (7)	0.0208 (6)	0.0182 (6)	0.0037 (5)	0.0028 (5)	0.0014 (5)
C5B	0.0300 (7)	0.0237 (7)	0.0187 (6)	0.0001 (6)	−0.0039 (5)	0.0016 (5)
C6B	0.0407 (10)	0.0477 (11)	0.0457 (10)	−0.0196 (8)	0.0039 (8)	0.0072 (8)
C7B	0.0254 (7)	0.0258 (7)	0.0176 (6)	0.0018 (5)	0.0012 (5)	0.0010 (5)
C8B	0.0329 (8)	0.0333 (8)	0.0176 (7)	0.0071 (6)	0.0024 (6)	0.0031 (6)
C9B	0.0418 (9)	0.0410 (9)	0.0223 (7)	−0.0020 (7)	−0.0054 (6)	0.0007 (7)
C10B	0.0293 (8)	0.0532 (11)	0.0304 (8)	0.0052 (7)	−0.0084 (6)	0.0044 (7)
C11B	0.0443 (10)	0.0452 (10)	0.0319 (9)	0.0154 (8)	−0.0052 (7)	0.0110 (7)
C12B	0.0457 (10)	0.0293 (8)	0.0350 (9)	0.0000 (7)	−0.0038 (7)	0.0115 (7)
C13B	0.0467 (9)	0.0260 (8)	0.0312 (8)	0.0053 (7)	−0.0069 (7)	0.0013 (6)
C14B	0.0325 (8)	0.0290 (7)	0.0205 (7)	0.0081 (6)	0.0016 (6)	0.0017 (6)
C15B	0.0265 (8)	0.0485 (10)	0.0345 (9)	0.0066 (7)	0.0033 (6)	0.0043 (7)
C16B	0.0309 (8)	0.0448 (9)	0.0281 (8)	−0.0001 (7)	0.0017 (6)	0.0139 (7)
C17B	0.0236 (7)	0.0207 (6)	0.0177 (6)	0.0037 (5)	0.0037 (5)	0.0012 (5)
C18B	0.0253 (7)	0.0286 (7)	0.0169 (6)	−0.0042 (6)	0.0038 (5)	0.0020 (5)
C19B	0.0316 (8)	0.0383 (9)	0.0268 (8)	−0.0005 (7)	−0.0022 (6)	0.0125 (6)
C20B	0.0256 (8)	0.0568 (11)	0.0367 (9)	−0.0102 (7)	−0.0061 (7)	0.0175 (8)
C21B	0.0655 (12)	0.0532 (11)	0.0249 (8)	−0.0298 (10)	−0.0099 (8)	0.0050 (8)
C22B	0.0688 (12)	0.0276 (8)	0.0258 (8)	−0.0021 (8)	0.0060 (8)	−0.0074 (6)
C23B	0.0511 (10)	0.0223 (7)	0.0263 (8)	0.0010 (7)	−0.0002 (7)	−0.0005 (6)
C24B	0.0294 (7)	0.0240 (7)	0.0175 (6)	−0.0017 (6)	0.0051 (5)	0.0025 (5)
C25B	0.0251 (7)	0.0467 (10)	0.0363 (9)	−0.0026 (7)	0.0074 (6)	0.0111 (7)
C26B	0.0413 (9)	0.0427 (9)	0.0224 (7)	0.0051 (7)	0.0110 (7)	−0.0057 (7)

Geometric parameters (Å, º)

O1A—C2A	1.3457 (19)	O1B—C2B	1.3463 (18)
O1A—C1A	1.4411 (19)	O1B—C1B	1.4406 (18)
O2A—C2A	1.2045 (19)	O2B—C2B	1.2047 (18)
O3A—C5A	1.3358 (18)	O3B—C5B	1.3339 (18)
O3A—C6A	1.4456 (19)	O3B—C6B	1.4469 (19)
O4A—C5A	1.2002 (19)	O4B—C5B	1.1986 (18)
C1A—H1A	0.9700	C1B—H1F	0.9700
C1A—H1B	0.9700	C1B—H1E	0.9700
C1A—H1C	0.9700	C1B—H1D	0.9700
C2A—C3A	1.496 (2)	C2B—C3B	1.4975 (19)
C3A—C7A	1.340 (2)	C3B—C7B	1.3418 (19)
C3A—C4A	1.5066 (18)	C3B—C4B	1.5057 (18)
C4A—C17A	1.341 (2)	C4B—C17B	1.3428 (19)
C4A—C5A	1.497 (2)	C4B—C5B	1.5015 (19)
C6A—H6A	0.9700	C6B—H6F	0.9700
C6A—H6B	0.9700	C6B—H6E	0.9700
C6A—H6C	0.9700	C6B—H6D	0.9700
C7A—C14A	1.5091 (19)	C7B—C14B	1.5112 (19)
C7A—C8A	1.5160 (19)	C7B—C8B	1.5155 (19)
C8A—C16A	1.533 (2)	C8B—C16B	1.535 (2)
C8A—C9A	1.537 (2)	C8B—C9B	1.539 (2)
C8A—H8A	0.9900	C8B—H8B	0.9900
C9A—C10A	1.529 (2)	C9B—C10B	1.527 (2)
C9A—H9A	0.9800	C9B—H9D	0.9800
C9A—H9B	0.9800	C9B—H9C	0.9800
C10A—C11A	1.528 (2)	C10B—C11B	1.532 (3)
C10A—C15A	1.537 (2)	C10B—C15B	1.536 (2)
C10A—H10A	0.9900	C10B—H10B	0.9900
C11A—C12A	1.532 (2)	C11B—C12B	1.529 (2)
C11A—H11A	0.9800	C11B—H11D	0.9800
C11A—H11B	0.9800	C11B—H11C	0.9800
C12A—C16A	1.528 (2)	C12B—C16B	1.526 (2)
C12A—C13A	1.530 (2)	C12B—C13B	1.531 (2)
C12A—H12A	0.9900	C12B—H12B	0.9900
C13A—C14A	1.536 (2)	C13B—C14B	1.538 (2)
C13A—H13A	0.9800	C13B—H13D	0.9800
C13A—H13B	0.9800	C13B—H13C	0.9800
C14A—C15A	1.546 (2)	C14B—C15B	1.547 (2)
C14A—H14A	0.9900	C14B—H14B	0.9900
C15A—H15B	0.9800	C15B—H15D	0.9800
C15A—H15A	0.9800	C15B—H15C	0.9800
C16A—H16B	0.9800	C16B—H16D	0.9800
C16A—H16A	0.9800	C16B—H16C	0.9800
C17A—C24A	1.510 (2)	C17B—C24B	1.5115 (19)
C17A—C18A	1.5187 (19)	C17B—C18B	1.5185 (18)
C18A—C26A	1.534 (2)	C18B—C19B	1.538 (2)
C18A—C19A	1.537 (2)	C18B—C26B	1.539 (2)
C18A—H18A	0.9900	C18B—H18B	0.9900
C19A—C20A	1.523 (2)	C19B—C20B	1.525 (2)
C19A—H19B	0.9800	C19B—H19D	0.9800
C19A—H19A	0.9800	C19B—H19C	0.9800
C20A—C21A	1.530 (3)	C20B—C21B	1.526 (3)
C20A—C25A	1.530 (2)	C20B—C25B	1.531 (2)
C20A—H20A	0.9900	C20B—H20B	0.9900
C21A—C22A	1.530 (3)	C21B—C22B	1.530 (3)
C21A—H21A	0.9800	C21B—H21D	0.9800
C21A—H21B	0.9800	C21B—H21C	0.9800
C22A—C26A	1.528 (3)	C22B—C26B	1.527 (2)
C22A—C23A	1.533 (2)	C22B—C23B	1.529 (2)
C22A—H22A	0.9900	C22B—H22B	0.9900
C23A—C24A	1.536 (2)	C23B—C24B	1.536 (2)
C23A—H23A	0.9800	C23B—H23D	0.9800
C23A—H23B	0.9800	C23B—H23C	0.9800
C24A—C25A	1.538 (2)	C24B—C25B	1.537 (2)
C24A—H24A	0.9900	C24B—H24B	0.9900
C25A—H25A	0.9800	C25B—H25D	0.9800
C25A—H25B	0.9800	C25B—H25C	0.9800
C26A—H26A	0.9800	C26B—H26D	0.9800
C26A—H26B	0.9800	C26B—H26C	0.9800
C2A—O1A—C1A	114.46 (13)	C2B—O1B—C1B	114.98 (12)
C5A—O3A—C6A	115.57 (13)	C5B—O3B—C6B	115.37 (13)
O1A—C1A—H1A	109.5	O1B—C1B—H1F	109.5
O1A—C1A—H1B	109.5	O1B—C1B—H1E	109.5
H1A—C1A—H1B	109.5	H1F—C1B—H1E	109.5
O1A—C1A—H1C	109.5	O1B—C1B—H1D	109.5
H1A—C1A—H1C	109.5	H1F—C1B—H1D	109.5
H1B—C1A—H1C	109.5	H1E—C1B—H1D	109.5
O2A—C2A—O1A	122.61 (14)	O2B—C2B—O1B	122.48 (13)
O2A—C2A—C3A	125.84 (15)	O2B—C2B—C3B	125.87 (14)
O1A—C2A—C3A	111.54 (12)	O1B—C2B—C3B	111.64 (12)
C7A—C3A—C2A	119.54 (12)	C7B—C3B—C2B	119.56 (12)
C7A—C3A—C4A	125.12 (13)	C7B—C3B—C4B	125.11 (12)
C2A—C3A—C4A	115.32 (12)	C2B—C3B—C4B	115.29 (12)
C17A—C4A—C5A	122.99 (12)	C17B—C4B—C5B	123.15 (12)
C17A—C4A—C3A	124.64 (13)	C17B—C4B—C3B	124.42 (13)
C5A—C4A—C3A	111.90 (12)	C5B—C4B—C3B	111.99 (12)
O4A—C5A—O3A	122.59 (14)	O4B—C5B—O3B	122.91 (14)
O4A—C5A—C4A	123.26 (14)	O4B—C5B—C4B	122.75 (13)
O3A—C5A—C4A	114.07 (12)	O3B—C5B—C4B	114.28 (12)
O3A—C6A—H6A	109.5	O3B—C6B—H6F	109.5
O3A—C6A—H6B	109.5	O3B—C6B—H6E	109.5
H6A—C6A—H6B	109.5	H6F—C6B—H6E	109.5
O3A—C6A—H6C	109.5	O3B—C6B—H6D	109.5
H6A—C6A—H6C	109.5	H6F—C6B—H6D	109.5
H6B—C6A—H6C	109.5	H6E—C6B—H6D	109.5
C3A—C7A—C14A	123.93 (12)	C3B—C7B—C14B	123.89 (12)
C3A—C7A—C8A	124.57 (13)	C3B—C7B—C8B	124.41 (13)
C14A—C7A—C8A	111.49 (12)	C14B—C7B—C8B	111.68 (12)
C7A—C8A—C16A	108.70 (13)	C7B—C8B—C16B	109.13 (12)
C7A—C8A—C9A	108.77 (12)	C7B—C8B—C9B	108.28 (12)
C16A—C8A—C9A	109.38 (13)	C16B—C8B—C9B	109.23 (12)
C7A—C8A—H8A	110.0	C7B—C8B—H8B	110.1
C16A—C8A—H8A	110.0	C16B—C8B—H8B	110.1
C9A—C8A—H8A	110.0	C9B—C8B—H8B	110.1
C10A—C9A—C8A	109.48 (13)	C10B—C9B—C8B	109.58 (13)
C10A—C9A—H9A	109.8	C10B—C9B—H9D	109.8
C8A—C9A—H9A	109.8	C8B—C9B—H9D	109.8
C10A—C9A—H9B	109.8	C10B—C9B—H9C	109.8
C8A—C9A—H9B	109.8	C8B—C9B—H9C	109.8
H9A—C9A—H9B	108.2	H9D—C9B—H9C	108.2
C11A—C10A—C9A	109.80 (13)	C9B—C10B—C11B	109.25 (14)
C11A—C10A—C15A	109.49 (15)	C9B—C10B—C15B	109.32 (13)
C9A—C10A—C15A	109.06 (13)	C11B—C10B—C15B	109.61 (15)
C11A—C10A—H10A	109.5	C9B—C10B—H10B	109.6
C9A—C10A—H10A	109.5	C11B—C10B—H10B	109.6
C15A—C10A—H10A	109.5	C15B—C10B—H10B	109.6
C10A—C11A—C12A	109.59 (13)	C12B—C11B—C10B	109.73 (13)
C10A—C11A—H11A	109.8	C12B—C11B—H11D	109.7
C12A—C11A—H11A	109.8	C10B—C11B—H11D	109.7
C10A—C11A—H11B	109.8	C12B—C11B—H11C	109.7
C12A—C11A—H11B	109.8	C10B—C11B—H11C	109.7
H11A—C11A—H11B	108.2	H11D—C11B—H11C	108.2
C16A—C12A—C13A	108.53 (12)	C16B—C12B—C11B	109.34 (14)
C16A—C12A—C11A	109.41 (14)	C16B—C12B—C13B	108.36 (13)
C13A—C12A—C11A	109.93 (14)	C11B—C12B—C13B	110.19 (14)
C16A—C12A—H12A	109.7	C16B—C12B—H12B	109.6
C13A—C12A—H12A	109.7	C11B—C12B—H12B	109.6
C11A—C12A—H12A	109.7	C13B—C12B—H12B	109.6
C12A—C13A—C14A	109.79 (13)	C12B—C13B—C14B	109.87 (13)
C12A—C13A—H13A	109.7	C12B—C13B—H13D	109.7
C14A—C13A—H13A	109.7	C14B—C13B—H13D	109.7
C12A—C13A—H13B	109.7	C12B—C13B—H13C	109.7
C14A—C13A—H13B	109.7	C14B—C13B—H13C	109.7
H13A—C13A—H13B	108.2	H13D—C13B—H13C	108.2
C7A—C14A—C13A	110.36 (12)	C7B—C14B—C13B	110.53 (12)
C7A—C14A—C15A	107.85 (13)	C7B—C14B—C15B	107.20 (12)
C13A—C14A—C15A	108.43 (12)	C13B—C14B—C15B	108.53 (12)
C7A—C14A—H14A	110.1	C7B—C14B—H14B	110.2
C13A—C14A—H14A	110.1	C13B—C14B—H14B	110.2
C15A—C14A—H14A	110.1	C15B—C14B—H14B	110.2
C10A—C15A—C14A	109.90 (12)	C10B—C15B—C14B	110.06 (13)
C10A—C15A—H15B	109.7	C10B—C15B—H15D	109.6
C14A—C15A—H15B	109.7	C14B—C15B—H15D	109.6
C10A—C15A—H15A	109.7	C10B—C15B—H15C	109.6
C14A—C15A—H15A	109.7	C14B—C15B—H15C	109.6
H15B—C15A—H15A	108.2	H15D—C15B—H15C	108.2
C12A—C16A—C8A	110.47 (12)	C12B—C16B—C8B	110.49 (13)
C12A—C16A—H16B	109.6	C12B—C16B—H16D	109.6
C8A—C16A—H16B	109.6	C8B—C16B—H16D	109.6
C12A—C16A—H16A	109.6	C12B—C16B—H16C	109.6
C8A—C16A—H16A	109.6	C8B—C16B—H16C	109.6
H16B—C16A—H16A	108.1	H16D—C16B—H16C	108.1
C4A—C17A—C24A	123.57 (12)	C4B—C17B—C24B	123.46 (12)
C4A—C17A—C18A	124.88 (13)	C4B—C17B—C18B	124.92 (12)
C24A—C17A—C18A	111.52 (12)	C24B—C17B—C18B	111.58 (11)
C17A—C18A—C26A	108.96 (12)	C17B—C18B—C19B	108.68 (11)
C17A—C18A—C19A	108.60 (12)	C17B—C18B—C26B	108.65 (12)
C26A—C18A—C19A	109.15 (13)	C19B—C18B—C26B	109.22 (13)
C17A—C18A—H18A	110.0	C17B—C18B—H18B	110.1
C26A—C18A—H18A	110.0	C19B—C18B—H18B	110.1
C19A—C18A—H18A	110.0	C26B—C18B—H18B	110.1
C20A—C19A—C18A	109.98 (13)	C20B—C19B—C18B	109.84 (12)
C20A—C19A—H19B	109.7	C20B—C19B—H19D	109.7
C18A—C19A—H19B	109.7	C18B—C19B—H19D	109.7
C20A—C19A—H19A	109.7	C20B—C19B—H19C	109.7
C18A—C19A—H19A	109.7	C18B—C19B—H19C	109.7
H19B—C19A—H19A	108.2	H19D—C19B—H19C	108.2
C19A—C20A—C21A	109.45 (15)	C19B—C20B—C21B	109.67 (14)
C19A—C20A—C25A	109.36 (15)	C19B—C20B—C25B	109.45 (14)
C21A—C20A—C25A	109.59 (15)	C21B—C20B—C25B	109.17 (14)
C19A—C20A—H20A	109.5	C19B—C20B—H20B	109.5
C21A—C20A—H20A	109.5	C21B—C20B—H20B	109.5
C25A—C20A—H20A	109.5	C25B—C20B—H20B	109.5
C20A—C21A—C22A	109.58 (14)	C20B—C21B—C22B	109.71 (13)
C20A—C21A—H21A	109.8	C20B—C21B—H21D	109.7
C22A—C21A—H21A	109.8	C22B—C21B—H21D	109.7
C20A—C21A—H21B	109.8	C20B—C21B—H21C	109.7
C22A—C21A—H21B	109.8	C22B—C21B—H21C	109.7
H21A—C21A—H21B	108.2	H21D—C21B—H21C	108.2
C26A—C22A—C21A	109.34 (15)	C26B—C22B—C23B	109.38 (14)
C26A—C22A—C23A	109.08 (15)	C26B—C22B—C21B	109.35 (14)
C21A—C22A—C23A	109.85 (17)	C23B—C22B—C21B	109.74 (15)
C26A—C22A—H22A	109.5	C26B—C22B—H22B	109.5
C21A—C22A—H22A	109.5	C23B—C22B—H22B	109.5
C23A—C22A—H22A	109.5	C21B—C22B—H22B	109.5
C22A—C23A—C24A	109.78 (13)	C22B—C23B—C24B	109.65 (12)
C22A—C23A—H23A	109.7	C22B—C23B—H23D	109.7
C24A—C23A—H23A	109.7	C24B—C23B—H23D	109.7
C22A—C23A—H23B	109.7	C22B—C23B—H23C	109.7
C24A—C23A—H23B	109.7	C24B—C23B—H23C	109.7
H23A—C23A—H23B	108.2	H23D—C23B—H23C	108.2
C17A—C24A—C23A	108.59 (13)	C17B—C24B—C23B	108.86 (12)
C17A—C24A—C25A	109.30 (12)	C17B—C24B—C25B	109.33 (11)
C23A—C24A—C25A	109.03 (14)	C23B—C24B—C25B	108.71 (13)
C17A—C24A—H24A	110.0	C17B—C24B—H24B	110.0
C23A—C24A—H24A	110.0	C23B—C24B—H24B	110.0
C25A—C24A—H24A	110.0	C25B—C24B—H24B	110.0
C20A—C25A—C24A	109.62 (13)	C20B—C25B—C24B	109.77 (12)
C20A—C25A—H25A	109.7	C20B—C25B—H25D	109.7
C24A—C25A—H25A	109.7	C24B—C25B—H25D	109.7
C20A—C25A—H25B	109.7	C20B—C25B—H25C	109.7
C24A—C25A—H25B	109.7	C24B—C25B—H25C	109.7
H25A—C25A—H25B	108.2	H25D—C25B—H25C	108.2
C22A—C26A—C18A	109.68 (13)	C22B—C26B—C18B	109.69 (12)
C22A—C26A—H26A	109.7	C22B—C26B—H26D	109.7
C18A—C26A—H26A	109.7	C18B—C26B—H26D	109.7
C22A—C26A—H26B	109.7	C22B—C26B—H26C	109.7
C18A—C26A—H26B	109.7	C18B—C26B—H26C	109.7
H26A—C26A—H26B	108.2	H26D—C26B—H26C	108.2
C1A—O1A—C2A—O2A	−0.1 (2)	C1B—O1B—C2B—O2B	−0.6 (2)
C1A—O1A—C2A—C3A	179.03 (13)	C1B—O1B—C2B—C3B	−179.75 (12)
O2A—C2A—C3A—C7A	48.3 (2)	O2B—C2B—C3B—C7B	−47.4 (2)
O1A—C2A—C3A—C7A	−130.73 (15)	O1B—C2B—C3B—C7B	131.75 (14)
O2A—C2A—C3A—C4A	−130.16 (17)	O2B—C2B—C3B—C4B	130.42 (16)
O1A—C2A—C3A—C4A	50.79 (18)	O1B—C2B—C3B—C4B	−50.41 (17)
C7A—C3A—C4A—C17A	75.3 (2)	C7B—C3B—C4B—C17B	−75.5 (2)
C2A—C3A—C4A—C17A	−106.33 (17)	C2B—C3B—C4B—C17B	106.77 (16)
C7A—C3A—C4A—C5A	−112.37 (16)	C7B—C3B—C4B—C5B	111.90 (16)
C2A—C3A—C4A—C5A	66.01 (17)	C2B—C3B—C4B—C5B	−65.80 (16)
C6A—O3A—C5A—O4A	−4.3 (2)	C6B—O3B—C5B—O4B	3.8 (2)
C6A—O3A—C5A—C4A	178.99 (13)	C6B—O3B—C5B—C4B	−179.06 (13)
C17A—C4A—C5A—O4A	129.60 (17)	C17B—C4B—C5B—O4B	−130.05 (16)
C3A—C4A—C5A—O4A	−42.9 (2)	C3B—C4B—C5B—O4B	42.63 (19)
C17A—C4A—C5A—O3A	−53.70 (19)	C17B—C4B—C5B—O3B	52.79 (18)
C3A—C4A—C5A—O3A	133.81 (13)	C3B—C4B—C5B—O3B	−134.53 (13)
C2A—C3A—C7A—C14A	−174.14 (14)	C2B—C3B—C7B—C14B	173.09 (13)
C4A—C3A—C7A—C14A	4.2 (2)	C4B—C3B—C7B—C14B	−4.5 (2)
C2A—C3A—C7A—C8A	5.0 (2)	C2B—C3B—C7B—C8B	−5.6 (2)
C4A—C3A—C7A—C8A	−176.72 (14)	C4B—C3B—C7B—C8B	176.82 (13)
C3A—C7A—C8A—C16A	122.82 (16)	C3B—C7B—C8B—C16B	−124.23 (15)
C14A—C7A—C8A—C16A	−57.98 (16)	C14B—C7B—C8B—C16B	56.97 (16)
C3A—C7A—C8A—C9A	−118.17 (17)	C3B—C7B—C8B—C9B	116.98 (16)
C14A—C7A—C8A—C9A	61.02 (16)	C14B—C7B—C8B—C9B	−61.82 (16)
C7A—C8A—C9A—C10A	−59.60 (17)	C7B—C8B—C9B—C10B	59.47 (16)
C16A—C8A—C9A—C10A	58.98 (16)	C16B—C8B—C9B—C10B	−59.27 (16)
C8A—C9A—C10A—C11A	−60.14 (16)	C8B—C9B—C10B—C11B	60.50 (16)
C8A—C9A—C10A—C15A	59.82 (17)	C8B—C9B—C10B—C15B	−59.44 (17)
C9A—C10A—C11A—C12A	60.37 (17)	C9B—C10B—C11B—C12B	−60.80 (17)
C15A—C10A—C11A—C12A	−59.33 (17)	C15B—C10B—C11B—C12B	58.95 (18)
C10A—C11A—C12A—C16A	−59.40 (17)	C10B—C11B—C12B—C16B	59.75 (18)
C10A—C11A—C12A—C13A	59.69 (17)	C10B—C11B—C12B—C13B	−59.24 (18)
C16A—C12A—C13A—C14A	59.25 (17)	C16B—C12B—C13B—C14B	−59.63 (17)
C11A—C12A—C13A—C14A	−60.38 (17)	C11B—C12B—C13B—C14B	59.97 (17)
C3A—C7A—C14A—C13A	−123.07 (15)	C3B—C7B—C14B—C13B	124.51 (15)
C8A—C7A—C14A—C13A	57.73 (16)	C8B—C7B—C14B—C13B	−56.68 (16)
C3A—C7A—C14A—C15A	118.65 (16)	C3B—C7B—C14B—C15B	−117.38 (16)
C8A—C7A—C14A—C15A	−60.55 (16)	C8B—C7B—C14B—C15B	61.42 (16)
C12A—C13A—C14A—C7A	−57.98 (16)	C12B—C13B—C14B—C7B	57.74 (16)
C12A—C13A—C14A—C15A	59.95 (16)	C12B—C13B—C14B—C15B	−59.54 (16)
C11A—C10A—C15A—C14A	60.01 (18)	C9B—C10B—C15B—C14B	59.98 (18)
C9A—C10A—C15A—C14A	−60.15 (18)	C11B—C10B—C15B—C14B	−59.74 (17)
C7A—C14A—C15A—C10A	59.58 (17)	C7B—C14B—C15B—C10B	−59.68 (17)
C13A—C14A—C15A—C10A	−59.93 (17)	C13B—C14B—C15B—C10B	59.72 (17)
C13A—C12A—C16A—C8A	−60.92 (17)	C11B—C12B—C16B—C8B	−58.99 (16)
C11A—C12A—C16A—C8A	59.03 (16)	C13B—C12B—C16B—C8B	61.14 (17)
C7A—C8A—C16A—C12A	59.77 (16)	C7B—C8B—C16B—C12B	−59.49 (16)
C9A—C8A—C16A—C12A	−58.85 (16)	C9B—C8B—C16B—C12B	58.71 (16)
C5A—C4A—C17A—C24A	−176.72 (13)	C5B—C4B—C17B—C24B	175.61 (12)
C3A—C4A—C17A—C24A	−5.2 (2)	C3B—C4B—C17B—C24B	3.8 (2)
C5A—C4A—C17A—C18A	1.2 (2)	C5B—C4B—C17B—C18B	−1.8 (2)
C3A—C4A—C17A—C18A	172.72 (13)	C3B—C4B—C17B—C18B	−173.59 (13)
C4A—C17A—C18A—C26A	122.29 (16)	C4B—C17B—C18B—C19B	118.43 (15)
C24A—C17A—C18A—C26A	−59.57 (15)	C24B—C17B—C18B—C19B	−59.27 (15)
C4A—C17A—C18A—C19A	−118.93 (16)	C4B—C17B—C18B—C26B	−122.83 (15)
C24A—C17A—C18A—C19A	59.21 (16)	C24B—C17B—C18B—C26B	59.47 (15)
C17A—C18A—C19A—C20A	−59.28 (18)	C17B—C18B—C19B—C20B	59.28 (16)
C26A—C18A—C19A—C20A	59.39 (18)	C26B—C18B—C19B—C20B	−59.10 (16)
C18A—C19A—C20A—C21A	−59.76 (18)	C18B—C19B—C20B—C21B	59.57 (17)
C18A—C19A—C20A—C25A	60.31 (19)	C18B—C19B—C20B—C25B	−60.17 (18)
C19A—C20A—C21A—C22A	60.09 (18)	C19B—C20B—C21B—C22B	−60.04 (17)
C25A—C20A—C21A—C22A	−59.83 (19)	C25B—C20B—C21B—C22B	59.87 (17)
C20A—C21A—C22A—C26A	−60.28 (18)	C20B—C21B—C22B—C26B	60.24 (17)
C20A—C21A—C22A—C23A	59.39 (19)	C20B—C21B—C22B—C23B	−59.74 (17)
C26A—C22A—C23A—C24A	60.4 (2)	C26B—C22B—C23B—C24B	−60.17 (18)
C21A—C22A—C23A—C24A	−59.5 (2)	C21B—C22B—C23B—C24B	59.78 (18)
C4A—C17A—C24A—C23A	−122.18 (15)	C4B—C17B—C24B—C23B	122.65 (14)
C18A—C17A—C24A—C23A	59.65 (15)	C18B—C17B—C24B—C23B	−59.61 (15)
C4A—C17A—C24A—C25A	118.99 (16)	C4B—C17B—C24B—C25B	−118.73 (15)
C18A—C17A—C24A—C25A	−59.17 (16)	C18B—C17B—C24B—C25B	59.01 (15)
C22A—C23A—C24A—C17A	−59.53 (18)	C22B—C23B—C24B—C17B	59.18 (17)
C22A—C23A—C24A—C25A	59.47 (19)	C22B—C23B—C24B—C25B	−59.83 (17)
C19A—C20A—C25A—C24A	−59.6 (2)	C19B—C20B—C25B—C24B	59.47 (18)
C21A—C20A—C25A—C24A	60.35 (19)	C21B—C20B—C25B—C24B	−60.58 (17)
C17A—C24A—C25A—C20A	58.59 (18)	C17B—C24B—C25B—C20B	−58.33 (17)
C23A—C24A—C25A—C20A	−59.97 (18)	C23B—C24B—C25B—C20B	60.39 (17)
C21A—C22A—C26A—C18A	60.15 (18)	C23B—C22B—C26B—C18B	60.17 (18)
C23A—C22A—C26A—C18A	−59.99 (19)	C21B—C22B—C26B—C18B	−60.03 (17)
C17A—C18A—C26A—C22A	58.98 (17)	C17B—C18B—C26B—C22B	−58.99 (16)
C19A—C18A—C26A—C22A	−59.46 (16)	C19B—C18B—C26B—C22B	59.41 (16)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C8A—H8A···O2A	0.99	2.35	3.014 (2)	123
C8B—H8B···O2B	0.99	2.36	3.009 (2)	123
C18A—H18A···O3A	0.99	2.33	3.005 (2)	124
C18B—H18B···O3B	0.99	2.32	3.002 (2)	125
C6A—H6B···O4B^i	0.97	2.64	3.472 (2)	143
C6B—H6E···O4A^ii	0.97	2.62	3.481 (2)	149
C13A—H13A···O4A^ii	0.98	2.65	3.379 (2)	131
C13B—H13C···O4B^iii	0.98	2.69	3.424 (2)	132
C23A—H23B···O4A^ii	0.98	2.73	3.499 (2)	136
C23B—H23D···O4B^iii	0.98	2.66	3.405 (2)	133
C26A—H26A···O2A^iv	0.98	2.63	3.591 (2)	167

Symmetry codes: (i) −x, y+1/2, −z+1/2; (ii) −x, y−1/2, −z+1/2; (iii) −x+1, y+1/2, −z+1/2; (iv) x, −y+1/2, z+1/2.

(I_at_142K) dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7]dec-2-ylidene)butanedioate

Crystal data

C26H34O4	F(000) = 3552
Mr = 410.53	Dx = 1.289 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 13.5304 (15) Å	Cell parameters from 211 reflections
b = 16.005 (2) Å	θ = 3–23°
c = 39.089 (7) Å	µ = 0.09 mm^−1
β = 91.147 (12)°	T = 142 K
V = 8463 (2) Å^3	Block, colourless
Z = 16	0.52 × 0.44 × 0.40 mm

Data collection

Siemens SMART diffractometer	26202 independent reflections
Radiation source: normal-focus sealed tube	14015 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.082
ω scans	θmax = 31.5°, θmin = 1.0°
Absorption correction: numerical using six faces (SHELXTL; Sheldrick, 1996)	h = −17→18
Tmin = 0.960, Tmax = 0.971	k = −24→21
94848 measured reflections	l = −58→50

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.100	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.246	H-atom parameters constrained
S = 1.16	w = 1/[σ^2(Fo^2) + (0.06P)^2 + 13P] where P = (Fo^2 + 2Fc^2)/3
26202 reflections	(Δ/σ)max = 0.007
1089 parameters	Δρmax = 0.73 e Å^−3
0 restraints	Δρmin = −0.35 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
O1A	0.13150 (15)	0.45761 (13)	0.52488 (5)	0.0229 (5)
O2A	0.24499 (18)	0.47883 (14)	0.56611 (5)	0.0302 (5)
O3A	0.41710 (16)	0.43156 (13)	0.45475 (6)	0.0272 (5)
O4A	0.34223 (18)	0.51717 (14)	0.49073 (6)	0.0344 (5)
C1A	0.0747 (2)	0.52467 (19)	0.53962 (8)	0.0277 (7)
H1C	0.1099	0.5777	0.5367	0.042*
H1B	0.0660	0.5139	0.5641	0.042*
H1A	0.0099	0.5279	0.5281	0.042*
C2A	0.2173 (2)	0.44090 (17)	0.54098 (7)	0.0188 (5)
C3A	0.2704 (2)	0.36950 (17)	0.52494 (7)	0.0172 (5)
C4A	0.2835 (2)	0.37739 (16)	0.48669 (7)	0.0165 (5)
C5A	0.3490 (2)	0.45037 (18)	0.47766 (7)	0.0191 (6)
C6A	0.4795 (3)	0.5008 (2)	0.44487 (9)	0.0324 (7)
H6C	0.5209	0.5181	0.4645	0.049*
H6B	0.4381	0.5478	0.4373	0.049*
H6A	0.5219	0.4834	0.4261	0.049*
C7A	0.3051 (2)	0.30718 (17)	0.54436 (7)	0.0167 (5)
C8A	0.2878 (2)	0.29887 (18)	0.58233 (7)	0.0198 (5)
H8A	0.2423	0.3440	0.5901	0.024*
C9A	0.3877 (2)	0.30573 (19)	0.60149 (7)	0.0244 (6)
H9B	0.4176	0.3611	0.5971	0.029*
H9A	0.3777	0.3003	0.6264	0.029*
C10A	0.4567 (2)	0.2367 (2)	0.58936 (8)	0.0262 (6)
H10A	0.5222	0.2417	0.6016	0.031*
C11A	0.4105 (2)	0.1515 (2)	0.59730 (8)	0.0292 (7)
H11B	0.4556	0.1062	0.5902	0.035*
H11A	0.4005	0.1463	0.6222	0.035*
C12A	0.3111 (2)	0.1431 (2)	0.57815 (8)	0.0272 (6)
H12A	0.2810	0.0875	0.5832	0.033*
C13A	0.3255 (2)	0.15187 (18)	0.53955 (8)	0.0235 (6)
H13B	0.2610	0.1461	0.5274	0.028*
H13A	0.3698	0.1070	0.5315	0.028*
C14A	0.3708 (2)	0.23766 (17)	0.53159 (7)	0.0183 (5)
H14A	0.3800	0.2435	0.5064	0.022*
C15A	0.4711 (2)	0.2447 (2)	0.55057 (7)	0.0250 (6)
H15B	0.5017	0.2994	0.5454	0.030*
H15A	0.5159	0.2001	0.5427	0.030*
C16A	0.2424 (2)	0.2126 (2)	0.58948 (8)	0.0253 (6)
H16B	0.2302	0.2070	0.6143	0.030*
H16A	0.1782	0.2075	0.5771	0.030*
C17A	0.2348 (2)	0.33176 (17)	0.46333 (7)	0.0170 (5)
C18A	0.2384 (2)	0.34582 (18)	0.42472 (7)	0.0196 (5)
H18A	0.2823	0.3943	0.4197	0.024*
C19A	0.1334 (2)	0.3631 (2)	0.41108 (8)	0.0254 (6)
H19B	0.1074	0.4143	0.4219	0.030*
H19A	0.1347	0.3724	0.3861	0.030*
C20A	0.0660 (2)	0.2893 (2)	0.41886 (8)	0.0315 (7)
H20A	−0.0021	0.3009	0.4097	0.038*
C21A	0.1066 (3)	0.2107 (2)	0.40189 (8)	0.0387 (9)
H21B	0.1081	0.2188	0.3768	0.046*
H21A	0.0629	0.1626	0.4067	0.046*
C22A	0.2111 (3)	0.1927 (2)	0.41571 (8)	0.0344 (8)
H22A	0.2371	0.1410	0.4047	0.041*
C23A	0.2075 (3)	0.17976 (19)	0.45476 (7)	0.0276 (7)
H23B	0.1645	0.1316	0.4600	0.033*
H23A	0.2747	0.1677	0.4639	0.033*
C24A	0.1670 (2)	0.25904 (17)	0.47172 (7)	0.0176 (5)
H24A	0.1651	0.2511	0.4971	0.021*
C25A	0.0624 (2)	0.2758 (2)	0.45754 (8)	0.0271 (6)
H25B	0.0190	0.2277	0.4626	0.033*
H25A	0.0347	0.3260	0.4686	0.033*
C26A	0.2780 (2)	0.2666 (2)	0.40757 (7)	0.0287 (7)
H26B	0.2800	0.2749	0.3825	0.034*
H26A	0.3461	0.2551	0.4160	0.034*
O1B	0.13418 (15)	0.45020 (13)	1.02522 (5)	0.0232 (5)
O2B	0.24837 (18)	0.47551 (14)	1.06626 (5)	0.0327 (5)
O3B	0.41643 (16)	0.42931 (13)	0.95220 (5)	0.0269 (5)
O4B	0.34925 (18)	0.51338 (14)	0.99097 (6)	0.0329 (5)
C1B	0.0747 (2)	0.51446 (19)	1.04040 (9)	0.0302 (7)
H1F	0.1076	0.5686	1.0380	0.045*
H1E	0.0662	0.5021	1.0647	0.045*
H1D	0.0098	0.5163	1.0288	0.045*
C2B	0.2215 (2)	0.43642 (17)	1.04123 (7)	0.0198 (5)
C3B	0.2770 (2)	0.36684 (17)	1.02471 (7)	0.0179 (5)
C4B	0.2872 (2)	0.37494 (16)	0.98630 (7)	0.0166 (5)
C5B	0.3523 (2)	0.44662 (17)	0.97672 (7)	0.0154 (5)
C6B	0.4802 (2)	0.4977 (2)	0.94272 (8)	0.0315 (7)
H6F	0.5256	0.5107	0.9618	0.047*
H6E	0.4400	0.5470	0.9372	0.047*
H6D	0.5183	0.4817	0.9227	0.047*
C7B	0.3151 (2)	0.30552 (17)	1.04352 (7)	0.0176 (5)
C8B	0.2997 (2)	0.29566 (19)	1.08167 (7)	0.0213 (6)
H8B	0.2570	0.3419	1.0902	0.026*
C9B	0.4008 (2)	0.2980 (2)	1.10024 (7)	0.0264 (6)
H9D	0.4332	0.3525	1.0961	0.032*
H9C	0.3919	0.2917	1.1252	0.032*
C10B	0.4654 (2)	0.2276 (2)	1.08710 (7)	0.0259 (6)
H10B	0.5312	0.2294	1.0992	0.031*
C11B	0.4163 (2)	0.1433 (2)	1.09381 (8)	0.0265 (6)
H11D	0.4590	0.0976	1.0856	0.032*
H11C	0.4071	0.1358	1.1187	0.032*
C12B	0.3162 (2)	0.14016 (19)	1.07514 (7)	0.0247 (6)
H12B	0.2837	0.0851	1.0795	0.030*
C13B	0.3299 (2)	0.15158 (19)	1.03685 (7)	0.0241 (6)
H13D	0.2649	0.1484	1.0249	0.029*
H13C	0.3721	0.1061	1.0281	0.029*
C14B	0.3781 (2)	0.23605 (18)	1.02948 (7)	0.0198 (6)
H14B	0.3865	0.2434	1.0043	0.024*
C15B	0.4797 (2)	0.2388 (2)	1.04833 (7)	0.0268 (7)
H15D	0.5226	0.1938	1.0397	0.032*
H15C	0.5123	0.2930	1.0439	0.032*
C16B	0.2501 (2)	0.2114 (2)	1.08803 (8)	0.0250 (6)
H16D	0.1852	0.2095	1.0759	0.030*
H16C	0.2389	0.2042	1.1128	0.030*
C17B	0.2341 (2)	0.33072 (17)	0.96369 (7)	0.0161 (5)
C18B	0.2342 (2)	0.34279 (17)	0.92514 (6)	0.0172 (5)
H18B	0.2828	0.3871	0.9190	0.021*
C19B	0.1293 (2)	0.36866 (19)	0.91344 (7)	0.0237 (6)
H19D	0.1111	0.4219	0.9246	0.028*
H19C	0.1275	0.3775	0.8884	0.028*
C20B	0.0551 (2)	0.3006 (2)	0.92287 (8)	0.0276 (7)
H20B	−0.0128	0.3177	0.9151	0.033*
C21B	0.0834 (3)	0.2187 (2)	0.90546 (8)	0.0335 (8)
H21D	0.0821	0.2262	0.8803	0.040*
H21C	0.0352	0.1746	0.9112	0.040*
C22B	0.1873 (3)	0.1923 (2)	0.91751 (8)	0.0296 (7)
H22B	0.2054	0.1385	0.9062	0.036*
C23B	0.1897 (2)	0.18048 (18)	0.95647 (7)	0.0235 (6)
H23D	0.2568	0.1633	0.9642	0.028*
H23C	0.1428	0.1359	0.9629	0.028*
C24B	0.1614 (2)	0.26277 (17)	0.97396 (7)	0.0181 (5)
H24B	0.1628	0.2556	0.9994	0.022*
C25B	0.0573 (2)	0.2880 (2)	0.96152 (8)	0.0250 (6)
H25D	0.0096	0.2438	0.9677	0.030*
H25C	0.0375	0.3404	0.9730	0.030*
C26B	0.2615 (2)	0.2595 (2)	0.90794 (8)	0.0258 (6)
H26D	0.2612	0.2667	0.8828	0.031*
H26C	0.3287	0.2424	0.9155	0.031*
O1C	0.13207 (15)	0.29691 (13)	0.27501 (5)	0.0207 (4)
O2C	0.24646 (17)	0.27304 (13)	0.31621 (5)	0.0276 (5)
O3C	0.41856 (14)	0.31653 (12)	0.20385 (5)	0.0217 (4)
O4C	0.34358 (17)	0.23162 (13)	0.24058 (5)	0.0286 (5)
C1C	0.0734 (2)	0.23280 (18)	0.29032 (8)	0.0248 (6)
H1I	0.1077	0.1791	0.2887	0.037*
H1H	0.0093	0.2292	0.2783	0.037*
H1G	0.0631	0.2463	0.3144	0.037*
C2C	0.2195 (2)	0.31157 (16)	0.29109 (6)	0.0166 (5)
C3C	0.27546 (19)	0.38022 (16)	0.27418 (6)	0.0138 (5)
C4C	0.28645 (18)	0.37170 (15)	0.23628 (6)	0.0119 (5)
C5C	0.3499 (2)	0.29839 (17)	0.22724 (6)	0.0153 (5)
C6C	0.4799 (2)	0.2465 (2)	0.19424 (8)	0.0272 (7)
H6I	0.5117	0.2227	0.2148	0.041*
H6H	0.5306	0.2656	0.1785	0.041*
H6G	0.4388	0.2038	0.1830	0.041*
C7C	0.31277 (19)	0.44250 (16)	0.29353 (6)	0.0127 (5)
C8C	0.2959 (2)	0.45291 (17)	0.33146 (6)	0.0169 (5)
H8C	0.2517	0.4075	0.3398	0.020*
C9C	0.3960 (2)	0.44907 (19)	0.35050 (7)	0.0220 (6)
H9F	0.3861	0.4563	0.3754	0.026*
H9E	0.4268	0.3938	0.3468	0.026*
C10C	0.4640 (2)	0.51784 (19)	0.33746 (7)	0.0215 (6)
H10C	0.5294	0.5147	0.3498	0.026*
C11C	0.4163 (2)	0.60326 (18)	0.34405 (7)	0.0215 (6)
H11F	0.4068	0.6109	0.3689	0.026*
H11E	0.4603	0.6483	0.3360	0.026*
C12C	0.3162 (2)	0.60853 (17)	0.32509 (7)	0.0192 (5)
H12C	0.2852	0.6641	0.3295	0.023*
C13C	0.3314 (2)	0.59751 (17)	0.28659 (7)	0.0193 (5)
H13F	0.3756	0.6420	0.2782	0.023*
H13E	0.2671	0.6023	0.2742	0.023*
C14C	0.37740 (19)	0.51120 (17)	0.27968 (6)	0.0155 (5)
H14C	0.3866	0.5033	0.2546	0.019*
C15C	0.4786 (2)	0.5065 (2)	0.29896 (7)	0.0207 (6)
H15F	0.5099	0.4517	0.2946	0.025*
H15E	0.5229	0.5507	0.2904	0.025*
C16C	0.2479 (2)	0.53882 (18)	0.33763 (7)	0.0194 (6)
H16F	0.1835	0.5419	0.3252	0.023*
H16E	0.2359	0.5462	0.3623	0.023*
C17C	0.23650 (18)	0.41759 (16)	0.21262 (6)	0.0121 (5)
C18C	0.23858 (19)	0.40232 (17)	0.17434 (6)	0.0142 (5)
H18C	0.2838	0.3547	0.1693	0.017*
C19C	0.1336 (2)	0.38222 (18)	0.16149 (7)	0.0205 (6)
H19F	0.1336	0.3725	0.1365	0.025*
H19E	0.1098	0.3307	0.1727	0.025*
C20C	0.0645 (2)	0.4550 (2)	0.16964 (8)	0.0305 (7)
H20C	−0.0039	0.4417	0.1611	0.037*
C21C	0.1012 (3)	0.5341 (2)	0.15202 (8)	0.0412 (10)
H21F	0.1018	0.5254	0.1270	0.049*
H21E	0.0562	0.5812	0.1568	0.049*
C22C	0.2052 (3)	0.5548 (2)	0.16516 (7)	0.0355 (8)
H22C	0.2288	0.6069	0.1538	0.043*
C23C	0.2048 (3)	0.56797 (18)	0.20404 (7)	0.0266 (7)
H23F	0.1610	0.6154	0.2096	0.032*
H23E	0.2724	0.5815	0.2124	0.032*
C24C	0.16821 (19)	0.48832 (15)	0.22170 (6)	0.0139 (5)
H24C	0.1681	0.4965	0.2471	0.017*
C25C	0.0633 (2)	0.4685 (2)	0.20835 (8)	0.0269 (7)
H25F	0.0385	0.4176	0.2197	0.032*
H25E	0.0184	0.5153	0.2138	0.032*
C26C	0.2753 (2)	0.4824 (2)	0.15690 (7)	0.0266 (7)
H26F	0.3430	0.4958	0.1652	0.032*
H26E	0.2771	0.4740	0.1318	0.032*
O1D	0.36771 (15)	0.29505 (13)	0.72467 (5)	0.0209 (4)
O2D	0.25304 (16)	0.27206 (12)	0.68355 (5)	0.0229 (4)
O3D	0.08243 (14)	0.32267 (12)	0.79592 (5)	0.0211 (4)
O4D	0.15518 (17)	0.23589 (13)	0.75929 (5)	0.0283 (5)
C1D	0.4244 (2)	0.22806 (18)	0.71030 (8)	0.0231 (6)
H1L	0.4305	0.2369	0.6856	0.035*
H1K	0.3909	0.1748	0.7144	0.035*
H1J	0.4904	0.2269	0.7211	0.035*
C2D	0.28073 (19)	0.31080 (16)	0.70855 (6)	0.0144 (5)
C3D	0.22666 (19)	0.38109 (15)	0.72490 (6)	0.0118 (5)
C4D	0.21537 (18)	0.37503 (15)	0.76282 (6)	0.0114 (4)
C5D	0.1501 (2)	0.30408 (16)	0.77245 (6)	0.0142 (5)
C6D	0.0194 (2)	0.2540 (2)	0.80582 (8)	0.0267 (6)
H6L	0.0598	0.2102	0.8167	0.040*
H6K	−0.0145	0.2312	0.7855	0.040*
H6J	−0.0296	0.2740	0.8220	0.040*
C7D	0.19097 (19)	0.44375 (16)	0.70513 (6)	0.0129 (5)
C8D	0.2082 (2)	0.45181 (16)	0.66699 (6)	0.0160 (5)
H8D	0.2530	0.4061	0.6592	0.019*
C9D	0.1082 (2)	0.44581 (18)	0.64809 (6)	0.0206 (6)
H9H	0.0778	0.3907	0.6525	0.025*
H9G	0.1178	0.4512	0.6231	0.025*
C10D	0.0396 (2)	0.51563 (19)	0.66046 (7)	0.0224 (6)
H10D	−0.0260	0.5114	0.6483	0.027*
C11D	0.0874 (2)	0.60068 (19)	0.65262 (7)	0.0253 (6)
H11H	0.0970	0.6061	0.6277	0.030*
H11G	0.0433	0.6464	0.6599	0.030*
C12D	0.1872 (2)	0.60749 (18)	0.67161 (7)	0.0211 (6)
H12D	0.2179	0.6628	0.6665	0.025*
C13D	0.1728 (2)	0.59925 (18)	0.71030 (7)	0.0216 (6)
H13H	0.1290	0.6445	0.7183	0.026*
H13G	0.2373	0.6046	0.7225	0.026*
C14D	0.1266 (2)	0.51388 (16)	0.71824 (6)	0.0157 (5)
H14D	0.1176	0.5078	0.7434	0.019*
C15D	0.0255 (2)	0.50745 (19)	0.69920 (7)	0.0219 (6)
H15H	−0.0056	0.4530	0.7043	0.026*
H15G	−0.0188	0.5523	0.7072	0.026*
C16D	0.2551 (2)	0.53770 (18)	0.65971 (7)	0.0214 (6)
H16H	0.3198	0.5420	0.6719	0.026*
H16G	0.2663	0.5435	0.6349	0.026*
C17D	0.26590 (18)	0.42118 (15)	0.78599 (6)	0.0106 (4)
C18D	0.26337 (18)	0.40893 (16)	0.82442 (6)	0.0126 (5)
H18D	0.2159	0.3634	0.8301	0.015*
C19D	0.3677 (2)	0.38600 (18)	0.83736 (7)	0.0186 (5)
H19H	0.3675	0.3779	0.8625	0.022*
H19G	0.3888	0.3330	0.8267	0.022*
C20D	0.4403 (2)	0.4556 (2)	0.82846 (7)	0.0252 (6)
H20D	0.5080	0.4404	0.8371	0.030*
C21D	0.4077 (3)	0.5372 (2)	0.84516 (8)	0.0345 (8)
H21H	0.4551	0.5823	0.8398	0.041*
H21G	0.4069	0.5303	0.8703	0.041*
C22D	0.3043 (3)	0.56087 (18)	0.83179 (7)	0.0266 (7)
H22D	0.2833	0.6145	0.8426	0.032*
C23D	0.3043 (2)	0.57099 (17)	0.79308 (7)	0.0218 (6)
H23H	0.3498	0.6167	0.7868	0.026*
H23G	0.2371	0.5859	0.7847	0.026*
C24D	0.33730 (19)	0.48933 (15)	0.77616 (6)	0.0132 (5)
H24D	0.3374	0.4960	0.7507	0.016*
C25D	0.4418 (2)	0.4667 (2)	0.78958 (7)	0.0224 (6)
H25H	0.4640	0.4142	0.7787	0.027*
H25G	0.4888	0.5116	0.7836	0.027*
C26D	0.2312 (2)	0.49122 (18)	0.84100 (7)	0.0223 (6)
H26H	0.2296	0.4845	0.8662	0.027*
H26G	0.1639	0.5063	0.8327	0.027*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O1A	0.0237 (11)	0.0203 (10)	0.0245 (10)	0.0079 (8)	−0.0034 (8)	−0.0041 (8)
O2A	0.0422 (14)	0.0269 (11)	0.0211 (10)	0.0084 (10)	−0.0050 (9)	−0.0058 (9)
O3A	0.0270 (12)	0.0236 (11)	0.0314 (11)	−0.0043 (9)	0.0089 (9)	−0.0009 (9)
O4A	0.0466 (15)	0.0218 (11)	0.0352 (13)	−0.0041 (10)	0.0102 (11)	−0.0063 (9)
C1A	0.0261 (16)	0.0206 (14)	0.0365 (17)	0.0077 (12)	0.0051 (13)	−0.0029 (12)
C2A	0.0238 (15)	0.0173 (12)	0.0156 (12)	0.0037 (10)	0.0036 (10)	0.0020 (10)
C3A	0.0198 (14)	0.0173 (12)	0.0144 (11)	0.0018 (10)	0.0030 (10)	−0.0024 (10)
C4A	0.0185 (14)	0.0166 (12)	0.0145 (11)	0.0039 (10)	0.0023 (10)	0.0015 (9)
C5A	0.0247 (15)	0.0182 (14)	0.0142 (12)	0.0031 (11)	−0.0011 (11)	0.0037 (10)
C6A	0.0334 (19)	0.0323 (17)	0.0316 (17)	−0.0126 (14)	0.0042 (14)	0.0065 (13)
C7A	0.0145 (13)	0.0195 (13)	0.0160 (12)	0.0033 (10)	0.0025 (9)	0.0000 (10)
C8A	0.0215 (14)	0.0243 (14)	0.0136 (11)	0.0057 (11)	0.0018 (10)	0.0028 (10)
C9A	0.0267 (16)	0.0280 (15)	0.0182 (13)	0.0008 (12)	−0.0030 (11)	0.0016 (11)
C10A	0.0182 (15)	0.0392 (18)	0.0211 (14)	0.0013 (12)	−0.0036 (11)	0.0040 (12)
C11A	0.0293 (17)	0.0336 (17)	0.0244 (15)	0.0102 (13)	−0.0045 (12)	0.0057 (13)
C12A	0.0304 (17)	0.0229 (15)	0.0282 (15)	0.0007 (12)	−0.0011 (12)	0.0078 (12)
C13A	0.0298 (16)	0.0162 (13)	0.0245 (14)	0.0041 (11)	−0.0033 (12)	−0.0005 (11)
C14A	0.0214 (15)	0.0193 (13)	0.0142 (12)	0.0057 (10)	0.0029 (10)	0.0009 (10)
C15A	0.0203 (15)	0.0305 (16)	0.0243 (14)	0.0032 (12)	0.0054 (11)	−0.0006 (12)
C16A	0.0227 (16)	0.0298 (16)	0.0232 (14)	−0.0027 (12)	0.0003 (11)	0.0090 (12)
C17A	0.0166 (14)	0.0214 (13)	0.0130 (11)	0.0065 (10)	0.0031 (10)	0.0032 (10)
C18A	0.0194 (14)	0.0243 (14)	0.0153 (12)	0.0008 (11)	0.0026 (10)	0.0025 (10)
C19A	0.0232 (16)	0.0304 (16)	0.0225 (14)	0.0059 (12)	−0.0002 (11)	0.0102 (12)
C20A	0.0197 (16)	0.048 (2)	0.0260 (15)	−0.0042 (14)	−0.0067 (12)	0.0138 (14)
C21A	0.058 (2)	0.0369 (19)	0.0207 (15)	−0.0207 (17)	−0.0108 (15)	0.0033 (13)
C22A	0.058 (2)	0.0274 (17)	0.0175 (14)	0.0095 (16)	0.0020 (14)	−0.0043 (12)
C23A	0.0432 (19)	0.0215 (15)	0.0179 (13)	0.0112 (13)	−0.0049 (12)	−0.0031 (11)
C24A	0.0218 (14)	0.0176 (13)	0.0135 (11)	0.0036 (10)	0.0022 (10)	0.0017 (10)
C25A	0.0220 (16)	0.0331 (16)	0.0264 (15)	0.0016 (12)	0.0048 (12)	0.0105 (13)
C26A	0.0291 (17)	0.0419 (19)	0.0150 (13)	0.0128 (14)	0.0029 (11)	−0.0012 (12)
O1B	0.0201 (11)	0.0225 (11)	0.0271 (11)	0.0051 (8)	0.0004 (8)	−0.0061 (9)
O2B	0.0487 (15)	0.0273 (12)	0.0217 (10)	0.0090 (10)	−0.0069 (10)	−0.0081 (9)
O3B	0.0255 (11)	0.0264 (11)	0.0290 (11)	−0.0072 (9)	0.0069 (9)	−0.0013 (9)
O4B	0.0468 (15)	0.0220 (11)	0.0301 (12)	−0.0078 (10)	0.0072 (10)	−0.0041 (9)
C1B	0.0294 (17)	0.0229 (15)	0.0383 (18)	0.0084 (12)	0.0060 (14)	−0.0033 (13)
C2B	0.0240 (15)	0.0178 (13)	0.0177 (12)	0.0014 (10)	0.0039 (10)	0.0023 (10)
C3B	0.0189 (14)	0.0211 (13)	0.0137 (11)	0.0021 (10)	−0.0006 (10)	−0.0042 (10)
C4B	0.0191 (14)	0.0169 (12)	0.0139 (11)	0.0004 (10)	0.0025 (10)	0.0015 (9)
C5B	0.0173 (14)	0.0154 (12)	0.0133 (11)	−0.0033 (10)	−0.0052 (10)	0.0030 (10)
C6B	0.0330 (18)	0.0314 (17)	0.0299 (16)	−0.0160 (13)	−0.0010 (13)	0.0051 (13)
C7B	0.0202 (14)	0.0169 (12)	0.0158 (12)	−0.0020 (10)	0.0056 (10)	−0.0003 (10)
C8B	0.0233 (15)	0.0265 (15)	0.0143 (12)	0.0043 (11)	0.0031 (10)	0.0017 (10)
C9B	0.0321 (17)	0.0296 (16)	0.0173 (13)	−0.0045 (13)	−0.0031 (12)	0.0002 (11)
C10B	0.0219 (15)	0.0354 (17)	0.0204 (14)	0.0032 (12)	−0.0033 (11)	0.0054 (12)
C11B	0.0271 (16)	0.0316 (16)	0.0209 (13)	0.0075 (12)	0.0011 (12)	0.0075 (12)
C12B	0.0295 (16)	0.0245 (15)	0.0201 (13)	−0.0024 (12)	−0.0024 (12)	0.0071 (11)
C13B	0.0341 (17)	0.0218 (14)	0.0161 (13)	−0.0016 (12)	−0.0067 (11)	0.0025 (11)
C14B	0.0213 (15)	0.0238 (14)	0.0143 (12)	0.0017 (11)	0.0042 (10)	0.0013 (10)
C15B	0.0171 (15)	0.0422 (18)	0.0214 (14)	0.0048 (13)	0.0052 (11)	0.0088 (13)
C16B	0.0171 (14)	0.0376 (18)	0.0205 (13)	−0.0003 (12)	0.0040 (11)	0.0096 (12)
C17B	0.0162 (13)	0.0188 (13)	0.0135 (11)	0.0015 (10)	0.0017 (10)	0.0017 (10)
C18B	0.0188 (14)	0.0205 (13)	0.0126 (11)	−0.0041 (10)	0.0027 (10)	0.0011 (10)
C19B	0.0233 (15)	0.0258 (15)	0.0220 (13)	−0.0020 (11)	−0.0018 (11)	0.0074 (11)
C20B	0.0175 (15)	0.0351 (17)	0.0300 (16)	−0.0065 (12)	−0.0071 (12)	0.0113 (13)
C21B	0.044 (2)	0.0379 (19)	0.0179 (14)	−0.0187 (15)	−0.0065 (13)	0.0034 (13)
C22B	0.050 (2)	0.0196 (14)	0.0195 (14)	−0.0027 (13)	0.0038 (13)	−0.0038 (11)
C23B	0.0323 (17)	0.0165 (14)	0.0216 (13)	0.0029 (11)	−0.0005 (12)	−0.0015 (11)
C24B	0.0212 (14)	0.0183 (13)	0.0148 (12)	0.0002 (10)	0.0037 (10)	0.0018 (10)
C25B	0.0207 (15)	0.0293 (15)	0.0252 (14)	−0.0018 (12)	0.0049 (11)	0.0058 (12)
C26B	0.0275 (16)	0.0307 (16)	0.0193 (13)	0.0023 (12)	0.0060 (11)	−0.0049 (12)
O1C	0.0189 (10)	0.0206 (10)	0.0226 (10)	−0.0047 (8)	0.0007 (8)	0.0057 (8)
O2C	0.0416 (13)	0.0238 (11)	0.0171 (9)	−0.0101 (9)	−0.0058 (9)	0.0089 (8)
O3C	0.0210 (10)	0.0197 (10)	0.0246 (10)	0.0065 (8)	0.0078 (8)	−0.0008 (8)
O4C	0.0405 (13)	0.0174 (10)	0.0284 (11)	0.0040 (9)	0.0078 (9)	0.0056 (8)
C1C	0.0193 (15)	0.0230 (14)	0.0325 (16)	−0.0054 (11)	0.0070 (12)	0.0045 (12)
C2C	0.0224 (14)	0.0152 (12)	0.0124 (11)	−0.0023 (10)	0.0021 (10)	−0.0014 (9)
C3C	0.0183 (13)	0.0141 (11)	0.0091 (10)	−0.0003 (9)	0.0023 (9)	−0.0017 (9)
C4C	0.0149 (13)	0.0127 (11)	0.0081 (10)	−0.0018 (9)	0.0021 (9)	−0.0017 (8)
C5C	0.0184 (14)	0.0158 (13)	0.0118 (11)	−0.0022 (10)	−0.0022 (10)	−0.0027 (9)
C6C	0.0245 (16)	0.0301 (16)	0.0270 (15)	0.0120 (12)	0.0026 (12)	−0.0042 (12)
C7C	0.0158 (13)	0.0153 (11)	0.0072 (10)	−0.0010 (9)	0.0030 (9)	−0.0004 (9)
C8C	0.0228 (14)	0.0201 (13)	0.0080 (10)	−0.0053 (10)	0.0043 (9)	−0.0029 (9)
C9C	0.0299 (16)	0.0260 (14)	0.0101 (11)	0.0027 (12)	−0.0006 (10)	−0.0004 (10)
C10C	0.0156 (14)	0.0324 (16)	0.0164 (12)	−0.0012 (11)	−0.0009 (10)	−0.0054 (11)
C11C	0.0221 (15)	0.0263 (15)	0.0159 (12)	−0.0073 (11)	−0.0013 (10)	−0.0081 (10)
C12C	0.0234 (15)	0.0185 (13)	0.0155 (12)	0.0006 (10)	−0.0015 (10)	−0.0073 (10)
C13C	0.0268 (15)	0.0161 (13)	0.0148 (12)	−0.0047 (10)	−0.0024 (10)	−0.0026 (10)
C14C	0.0157 (13)	0.0210 (13)	0.0097 (10)	−0.0052 (10)	0.0019 (9)	−0.0029 (9)
C15C	0.0104 (13)	0.0350 (16)	0.0167 (12)	−0.0027 (11)	0.0019 (10)	−0.0065 (11)
C16C	0.0160 (14)	0.0282 (15)	0.0141 (11)	−0.0013 (11)	0.0035 (10)	−0.0091 (10)
C17C	0.0120 (12)	0.0150 (12)	0.0095 (10)	−0.0033 (9)	0.0034 (9)	−0.0003 (9)
C18C	0.0134 (12)	0.0227 (13)	0.0066 (10)	0.0007 (9)	0.0004 (9)	−0.0037 (9)
C19C	0.0148 (14)	0.0269 (14)	0.0197 (13)	−0.0005 (11)	−0.0030 (10)	−0.0110 (11)
C20C	0.0202 (16)	0.0440 (19)	0.0269 (15)	0.0114 (13)	−0.0108 (12)	−0.0226 (14)
C21C	0.065 (3)	0.0366 (19)	0.0215 (15)	0.0248 (18)	−0.0239 (16)	−0.0122 (14)
C22C	0.072 (3)	0.0224 (16)	0.0117 (12)	−0.0083 (16)	−0.0066 (14)	0.0032 (11)
C23C	0.047 (2)	0.0186 (14)	0.0142 (12)	−0.0068 (13)	−0.0035 (12)	−0.0011 (10)
C24C	0.0170 (13)	0.0132 (11)	0.0116 (10)	0.0003 (9)	0.0007 (9)	−0.0028 (9)
C25C	0.0155 (14)	0.0368 (17)	0.0285 (15)	0.0037 (12)	0.0020 (11)	−0.0189 (13)
C26C	0.0337 (17)	0.0365 (17)	0.0097 (11)	−0.0141 (13)	0.0041 (11)	0.0025 (11)
O1D	0.0186 (10)	0.0192 (10)	0.0247 (10)	0.0043 (8)	0.0008 (8)	−0.0040 (8)
O2D	0.0343 (12)	0.0202 (10)	0.0141 (9)	0.0058 (8)	−0.0035 (8)	−0.0068 (7)
O3D	0.0177 (10)	0.0189 (9)	0.0269 (10)	−0.0051 (7)	0.0081 (8)	−0.0017 (8)
O4D	0.0435 (13)	0.0168 (10)	0.0251 (11)	−0.0075 (9)	0.0087 (9)	−0.0052 (8)
C1D	0.0204 (15)	0.0216 (14)	0.0274 (14)	0.0061 (11)	0.0039 (11)	−0.0026 (11)
C2D	0.0180 (13)	0.0139 (11)	0.0113 (10)	0.0015 (9)	0.0030 (9)	0.0005 (9)
C3D	0.0171 (13)	0.0114 (11)	0.0070 (10)	0.0007 (9)	0.0003 (9)	0.0009 (8)
C4D	0.0141 (12)	0.0118 (11)	0.0085 (10)	0.0012 (9)	0.0016 (9)	0.0007 (8)
C5D	0.0180 (14)	0.0125 (12)	0.0119 (11)	−0.0003 (9)	−0.0015 (9)	0.0023 (9)
C6D	0.0232 (16)	0.0301 (16)	0.0270 (15)	−0.0131 (12)	0.0011 (12)	0.0063 (12)
C7D	0.0148 (13)	0.0169 (12)	0.0068 (10)	−0.0003 (9)	−0.0013 (9)	−0.0005 (9)
C8D	0.0207 (14)	0.0181 (12)	0.0091 (10)	0.0043 (10)	0.0014 (9)	0.0046 (9)
C9D	0.0263 (15)	0.0254 (14)	0.0099 (11)	−0.0018 (11)	−0.0033 (10)	−0.0008 (10)
C10D	0.0177 (14)	0.0323 (16)	0.0170 (13)	0.0018 (12)	−0.0058 (10)	0.0031 (11)
C11D	0.0295 (17)	0.0273 (15)	0.0190 (13)	0.0081 (12)	−0.0046 (11)	0.0083 (11)
C12D	0.0263 (15)	0.0179 (13)	0.0188 (13)	−0.0002 (11)	−0.0035 (11)	0.0063 (10)
C13D	0.0279 (16)	0.0169 (13)	0.0196 (13)	0.0037 (11)	−0.0035 (11)	0.0017 (10)
C14D	0.0197 (14)	0.0165 (12)	0.0109 (11)	0.0063 (10)	−0.0016 (10)	0.0006 (9)
C15D	0.0182 (14)	0.0285 (15)	0.0189 (13)	0.0041 (11)	−0.0004 (10)	0.0036 (11)
C16D	0.0214 (15)	0.0266 (15)	0.0163 (12)	−0.0015 (11)	0.0015 (10)	0.0087 (11)
C17D	0.0132 (12)	0.0094 (11)	0.0093 (10)	0.0017 (8)	0.0013 (9)	0.0001 (8)
C18D	0.0132 (12)	0.0164 (12)	0.0081 (10)	−0.0016 (9)	0.0016 (9)	0.0008 (9)
C19D	0.0187 (14)	0.0240 (14)	0.0130 (11)	−0.0023 (10)	−0.0011 (10)	0.0079 (10)
C20D	0.0152 (14)	0.0379 (17)	0.0223 (14)	−0.0087 (12)	−0.0061 (11)	0.0149 (12)
C21D	0.052 (2)	0.0356 (18)	0.0159 (13)	−0.0259 (16)	−0.0113 (14)	0.0057 (12)
C22D	0.052 (2)	0.0145 (13)	0.0129 (12)	−0.0016 (13)	0.0021 (12)	−0.0056 (10)
C23D	0.0393 (18)	0.0113 (12)	0.0149 (12)	0.0008 (11)	0.0001 (11)	0.0028 (10)
C24D	0.0177 (13)	0.0123 (11)	0.0096 (10)	−0.0028 (9)	0.0023 (9)	0.0027 (9)
C25D	0.0151 (14)	0.0305 (15)	0.0218 (13)	−0.0030 (11)	0.0035 (10)	0.0107 (11)
C26D	0.0304 (16)	0.0248 (14)	0.0122 (11)	0.0034 (12)	0.0091 (11)	−0.0029 (10)

Geometric parameters (Å, º)

O1A—C2A	1.336 (3)	O1C—C2C	1.349 (3)
O1A—C1A	1.447 (3)	O1C—C1C	1.435 (3)
O2A—C2A	1.208 (3)	O2C—C2C	1.210 (3)
O3A—C5A	1.333 (3)	O3C—C5C	1.348 (3)
O3A—C6A	1.451 (4)	O3C—C6C	1.448 (3)
O4A—C5A	1.189 (4)	O4C—C5C	1.193 (3)
C1A—H1C	0.9800	C1C—H1I	0.9800
C1A—H1B	0.9800	C1C—H1H	0.9800
C1A—H1A	0.9800	C1C—H1G	0.9800
C2A—C3A	1.494 (4)	C2C—C3C	1.495 (4)
C3A—C7A	1.333 (4)	C3C—C7C	1.344 (3)
C3A—C4A	1.514 (4)	C3C—C4C	1.498 (3)
C4A—C17A	1.333 (4)	C4C—C17C	1.352 (4)
C4A—C5A	1.512 (4)	C4C—C5C	1.501 (4)
C6A—H6C	0.9800	C6C—H6I	0.9800
C6A—H6B	0.9800	C6C—H6H	0.9800
C6A—H6A	0.9800	C6C—H6G	0.9800
C7A—C8A	1.513 (4)	C7C—C14C	1.512 (4)
C7A—C14A	1.515 (4)	C7C—C8C	1.514 (3)
C8A—C9A	1.536 (4)	C8C—C9C	1.533 (4)
C8A—C16A	1.539 (4)	C8C—C16C	1.541 (4)
C8A—H8A	1.0000	C8C—H8C	1.0000
C9A—C10A	1.529 (4)	C9C—C10C	1.529 (4)
C9A—H9B	0.9900	C9C—H9F	0.9900
C9A—H9A	0.9900	C9C—H9E	0.9900
C10A—C11A	1.534 (5)	C10C—C15C	1.533 (4)
C10A—C15A	1.538 (4)	C10C—C11C	1.536 (4)
C10A—H10A	1.0000	C10C—H10C	1.0000
C11A—C12A	1.532 (4)	C11C—C12C	1.533 (4)
C11A—H11B	0.9900	C11C—H11F	0.9900
C11A—H11A	0.9900	C11C—H11E	0.9900
C12A—C16A	1.521 (4)	C12C—C13C	1.533 (4)
C12A—C13A	1.531 (4)	C12C—C16C	1.535 (4)
C12A—H12A	1.0000	C12C—H12C	1.0000
C13A—C14A	1.538 (4)	C13C—C14C	1.541 (4)
C13A—H13B	0.9900	C13C—H13F	0.9900
C13A—H13A	0.9900	C13C—H13E	0.9900
C14A—C15A	1.537 (4)	C14C—C15C	1.551 (4)
C14A—H14A	1.0000	C14C—H14C	1.0000
C15A—H15B	0.9900	C15C—H15F	0.9900
C15A—H15A	0.9900	C15C—H15E	0.9900
C16A—H16B	0.9900	C16C—H16F	0.9900
C16A—H16A	0.9900	C16C—H16E	0.9900
C17A—C24A	1.521 (4)	C17C—C24C	1.508 (4)
C17A—C18A	1.528 (4)	C17C—C18C	1.517 (3)
C18A—C19A	1.533 (4)	C18C—C19C	1.532 (4)
C18A—C26A	1.536 (4)	C18C—C26C	1.539 (4)
C18A—H18A	1.0000	C18C—H18C	1.0000
C19A—C20A	1.528 (4)	C19C—C20C	1.531 (4)
C19A—H19B	0.9900	C19C—H19F	0.9900
C19A—H19A	0.9900	C19C—H19E	0.9900
C20A—C21A	1.528 (5)	C20C—C25C	1.529 (4)
C20A—C25A	1.529 (4)	C20C—C21C	1.529 (5)
C20A—H20A	1.0000	C20C—H20C	1.0000
C21A—C22A	1.531 (5)	C21C—C22C	1.524 (5)
C21A—H21B	0.9900	C21C—H21F	0.9900
C21A—H21A	0.9900	C21C—H21E	0.9900
C22A—C26A	1.527 (5)	C22C—C23C	1.535 (4)
C22A—C23A	1.542 (4)	C22C—C26C	1.536 (5)
C22A—H22A	1.0000	C22C—H22C	1.0000
C23A—C24A	1.538 (4)	C23C—C24C	1.536 (4)
C23A—H23B	0.9900	C23C—H23F	0.9900
C23A—H23A	0.9900	C23C—H23E	0.9900
C24A—C25A	1.533 (4)	C24C—C25C	1.536 (4)
C24A—H24A	1.0000	C24C—H24C	1.0000
C25A—H25B	0.9900	C25C—H25F	0.9900
C25A—H25A	0.9900	C25C—H25E	0.9900
C26A—H26B	0.9900	C26C—H26F	0.9900
C26A—H26A	0.9900	C26C—H26E	0.9900
O1B—C2B	1.344 (4)	O1D—C2D	1.347 (3)
O1B—C1B	1.441 (3)	O1D—C1D	1.439 (3)
O2B—C2B	1.211 (3)	O2D—C2D	1.211 (3)
O3B—C5B	1.335 (3)	O3D—C5D	1.343 (3)
O3B—C6B	1.447 (4)	O3D—C6D	1.448 (3)
O4B—C5B	1.206 (3)	O4D—C5D	1.209 (3)
C1B—H1F	0.9800	C1D—H1L	0.9800
C1B—H1E	0.9800	C1D—H1K	0.9800
C1B—H1D	0.9800	C1D—H1J	0.9800
C2B—C3B	1.496 (4)	C2D—C3D	1.493 (3)
C3B—C7B	1.325 (4)	C3D—C7D	1.350 (3)
C3B—C4B	1.516 (4)	C3D—C4D	1.496 (3)
C4B—C17B	1.332 (4)	C4D—C17D	1.345 (3)
C4B—C5B	1.498 (4)	C4D—C5D	1.491 (4)
C6B—H6F	0.9800	C6D—H6L	0.9800
C6B—H6E	0.9800	C6D—H6K	0.9800
C6B—H6D	0.9800	C6D—H6J	0.9800
C7B—C14B	1.511 (4)	C7D—C14D	1.516 (4)
C7B—C8B	1.518 (4)	C7D—C8D	1.519 (3)
C8B—C16B	1.529 (4)	C8D—C9D	1.532 (4)
C8B—C9B	1.536 (4)	C8D—C16D	1.542 (4)
C8B—H8B	1.0000	C8D—H8D	1.0000
C9B—C10B	1.522 (4)	C9D—C10D	1.537 (4)
C9B—H9D	0.9900	C9D—H9H	0.9900
C9B—H9C	0.9900	C9D—H9G	0.9900
C10B—C11B	1.528 (5)	C10D—C15D	1.536 (4)
C10B—C15B	1.542 (4)	C10D—C11D	1.540 (4)
C10B—H10B	1.0000	C10D—H10D	1.0000
C11B—C12B	1.526 (4)	C11D—C12D	1.532 (4)
C11B—H11D	0.9900	C11D—H11H	0.9900
C11B—H11C	0.9900	C11D—H11G	0.9900
C12B—C13B	1.523 (4)	C12D—C16D	1.525 (4)
C12B—C16B	1.539 (4)	C12D—C13D	1.535 (4)
C12B—H12B	1.0000	C12D—H12D	1.0000
C13B—C14B	1.530 (4)	C13D—C14D	1.536 (4)
C13B—H13D	0.9900	C13D—H13H	0.9900
C13B—H13C	0.9900	C13D—H13G	0.9900
C14B—C15B	1.548 (4)	C14D—C15D	1.547 (4)
C14B—H14B	1.0000	C14D—H14D	1.0000
C15B—H15D	0.9900	C15D—H15H	0.9900
C15B—H15C	0.9900	C15D—H15G	0.9900
C16B—H16D	0.9900	C16D—H16H	0.9900
C16B—H16C	0.9900	C16D—H16G	0.9900
C17B—C18B	1.520 (4)	C17D—C24D	1.512 (3)
C17B—C24B	1.525 (4)	C17D—C18D	1.516 (3)
C18B—C19B	1.540 (4)	C18D—C26D	1.535 (4)
C18B—C26B	1.540 (4)	C18D—C19D	1.535 (4)
C18B—H18B	1.0000	C18D—H18D	1.0000
C19B—C20B	1.531 (4)	C19D—C20D	1.530 (4)
C19B—H19D	0.9900	C19D—H19H	0.9900
C19B—H19C	0.9900	C19D—H19G	0.9900
C20B—C25B	1.524 (4)	C20D—C21D	1.529 (5)
C20B—C21B	1.529 (5)	C20D—C25D	1.530 (4)
C20B—H20B	1.0000	C20D—H20D	1.0000
C21B—C22B	1.533 (5)	C21D—C22D	1.532 (5)
C21B—H21D	0.9900	C21D—H21H	0.9900
C21B—H21C	0.9900	C21D—H21G	0.9900
C22B—C26B	1.523 (4)	C22D—C23D	1.522 (4)
C22B—C23B	1.534 (4)	C22D—C26D	1.538 (4)
C22B—H22B	1.0000	C22D—H22D	1.0000
C23B—C24B	1.536 (4)	C23D—C24D	1.535 (4)
C23B—H23D	0.9900	C23D—H23H	0.9900
C23B—H23C	0.9900	C23D—H23G	0.9900
C24B—C25B	1.534 (4)	C24D—C25D	1.541 (4)
C24B—H24B	1.0000	C24D—H24D	1.0000
C25B—H25D	0.9900	C25D—H25H	0.9900
C25B—H25C	0.9900	C25D—H25G	0.9900
C26B—H26D	0.9900	C26D—H26H	0.9900
C26B—H26C	0.9900	C26D—H26G	0.9900
C2A—O1A—C1A	115.1 (2)	C2C—O1C—C1C	114.7 (2)
C5A—O3A—C6A	114.9 (2)	C5C—O3C—C6C	114.5 (2)
O1A—C1A—H1C	109.5	O1C—C1C—H1I	109.5
O1A—C1A—H1B	109.5	O1C—C1C—H1H	109.5
H1C—C1A—H1B	109.5	H1I—C1C—H1H	109.5
O1A—C1A—H1A	109.5	O1C—C1C—H1G	109.5
H1C—C1A—H1A	109.5	H1I—C1C—H1G	109.5
H1B—C1A—H1A	109.5	H1H—C1C—H1G	109.5
O2A—C2A—O1A	122.4 (3)	O2C—C2C—O1C	122.4 (2)
O2A—C2A—C3A	125.5 (3)	O2C—C2C—C3C	125.9 (3)
O1A—C2A—C3A	112.1 (2)	O1C—C2C—C3C	111.6 (2)
C7A—C3A—C2A	120.0 (2)	C7C—C3C—C2C	118.9 (2)
C7A—C3A—C4A	125.3 (2)	C7C—C3C—C4C	125.5 (2)
C2A—C3A—C4A	114.7 (2)	C2C—C3C—C4C	115.6 (2)
C17A—C4A—C5A	123.2 (2)	C17C—C4C—C3C	124.7 (2)
C17A—C4A—C3A	124.4 (2)	C17C—C4C—C5C	123.0 (2)
C5A—C4A—C3A	112.1 (2)	C3C—C4C—C5C	111.9 (2)
O4A—C5A—O3A	123.5 (3)	O4C—C5C—O3C	123.1 (3)
O4A—C5A—C4A	122.9 (3)	O4C—C5C—C4C	123.4 (2)
O3A—C5A—C4A	113.5 (2)	O3C—C5C—C4C	113.4 (2)
O3A—C6A—H6C	109.5	O3C—C6C—H6I	109.5
O3A—C6A—H6B	109.5	O3C—C6C—H6H	109.5
H6C—C6A—H6B	109.5	H6I—C6C—H6H	109.5
O3A—C6A—H6A	109.5	O3C—C6C—H6G	109.5
H6C—C6A—H6A	109.5	H6I—C6C—H6G	109.5
H6B—C6A—H6A	109.5	H6H—C6C—H6G	109.5
C3A—C7A—C8A	124.4 (2)	C3C—C7C—C14C	123.5 (2)
C3A—C7A—C14A	124.3 (2)	C3C—C7C—C8C	124.8 (2)
C8A—C7A—C14A	111.2 (2)	C14C—C7C—C8C	111.7 (2)
C7A—C8A—C9A	108.7 (2)	C7C—C8C—C9C	108.8 (2)
C7A—C8A—C16A	109.1 (2)	C7C—C8C—C16C	108.9 (2)
C9A—C8A—C16A	109.0 (2)	C9C—C8C—C16C	109.3 (2)
C7A—C8A—H8A	110.0	C7C—C8C—H8C	110.0
C9A—C8A—H8A	110.0	C9C—C8C—H8C	110.0
C16A—C8A—H8A	110.0	C16C—C8C—H8C	110.0
C10A—C9A—C8A	109.5 (2)	C10C—C9C—C8C	109.9 (2)
C10A—C9A—H9B	109.8	C10C—C9C—H9F	109.7
C8A—C9A—H9B	109.8	C8C—C9C—H9F	109.7
C10A—C9A—H9A	109.8	C10C—C9C—H9E	109.7
C8A—C9A—H9A	109.8	C8C—C9C—H9E	109.7
H9B—C9A—H9A	108.2	H9F—C9C—H9E	108.2
C9A—C10A—C11A	109.0 (2)	C9C—C10C—C15C	109.4 (2)
C9A—C10A—C15A	109.6 (2)	C9C—C10C—C11C	109.1 (2)
C11A—C10A—C15A	109.5 (3)	C15C—C10C—C11C	109.4 (2)
C9A—C10A—H10A	109.6	C9C—C10C—H10C	109.6
C11A—C10A—H10A	109.6	C15C—C10C—H10C	109.6
C15A—C10A—H10A	109.6	C11C—C10C—H10C	109.6
C12A—C11A—C10A	109.7 (2)	C12C—C11C—C10C	109.8 (2)
C12A—C11A—H11B	109.7	C12C—C11C—H11F	109.7
C10A—C11A—H11B	109.7	C10C—C11C—H11F	109.7
C12A—C11A—H11A	109.7	C12C—C11C—H11E	109.7
C10A—C11A—H11A	109.7	C10C—C11C—H11E	109.7
H11B—C11A—H11A	108.2	H11F—C11C—H11E	108.2
C16A—C12A—C13A	108.1 (2)	C11C—C12C—C13C	109.5 (2)
C16A—C12A—C11A	109.2 (3)	C11C—C12C—C16C	109.7 (2)
C13A—C12A—C11A	110.2 (3)	C13C—C12C—C16C	108.9 (2)
C16A—C12A—H12A	109.8	C11C—C12C—H12C	109.6
C13A—C12A—H12A	109.8	C13C—C12C—H12C	109.6
C11A—C12A—H12A	109.8	C16C—C12C—H12C	109.6
C12A—C13A—C14A	109.9 (2)	C12C—C13C—C14C	109.7 (2)
C12A—C13A—H13B	109.7	C12C—C13C—H13F	109.7
C14A—C13A—H13B	109.7	C14C—C13C—H13F	109.7
C12A—C13A—H13A	109.7	C12C—C13C—H13E	109.7
C14A—C13A—H13A	109.7	C14C—C13C—H13E	109.7
H13B—C13A—H13A	108.2	H13F—C13C—H13E	108.2
C7A—C14A—C15A	107.7 (2)	C7C—C14C—C13C	110.5 (2)
C7A—C14A—C13A	110.5 (2)	C7C—C14C—C15C	107.6 (2)
C15A—C14A—C13A	108.6 (2)	C13C—C14C—C15C	108.3 (2)
C7A—C14A—H14A	110.0	C7C—C14C—H14C	110.1
C15A—C14A—H14A	110.0	C13C—C14C—H14C	110.1
C13A—C14A—H14A	110.0	C15C—C14C—H14C	110.1
C14A—C15A—C10A	110.0 (2)	C10C—C15C—C14C	110.0 (2)
C14A—C15A—H15B	109.7	C10C—C15C—H15F	109.7
C10A—C15A—H15B	109.7	C14C—C15C—H15F	109.7
C14A—C15A—H15A	109.7	C10C—C15C—H15E	109.7
C10A—C15A—H15A	109.7	C14C—C15C—H15E	109.7
H15B—C15A—H15A	108.2	H15F—C15C—H15E	108.2
C12A—C16A—C8A	110.8 (2)	C12C—C16C—C8C	109.9 (2)
C12A—C16A—H16B	109.5	C12C—C16C—H16F	109.7
C8A—C16A—H16B	109.5	C8C—C16C—H16F	109.7
C12A—C16A—H16A	109.5	C12C—C16C—H16E	109.7
C8A—C16A—H16A	109.5	C8C—C16C—H16E	109.7
H16B—C16A—H16A	108.1	H16F—C16C—H16E	108.2
C4A—C17A—C24A	124.3 (2)	C4C—C17C—C24C	123.2 (2)
C4A—C17A—C18A	124.8 (3)	C4C—C17C—C18C	124.7 (2)
C24A—C17A—C18A	110.9 (2)	C24C—C17C—C18C	112.1 (2)
C17A—C18A—C19A	108.8 (2)	C17C—C18C—C19C	108.8 (2)
C17A—C18A—C26A	109.2 (2)	C17C—C18C—C26C	108.4 (2)
C19A—C18A—C26A	109.1 (2)	C19C—C18C—C26C	109.6 (2)
C17A—C18A—H18A	109.9	C17C—C18C—H18C	110.0
C19A—C18A—H18A	109.9	C19C—C18C—H18C	110.0
C26A—C18A—H18A	109.9	C26C—C18C—H18C	110.0
C20A—C19A—C18A	110.1 (2)	C20C—C19C—C18C	109.7 (2)
C20A—C19A—H19B	109.6	C20C—C19C—H19F	109.7
C18A—C19A—H19B	109.6	C18C—C19C—H19F	109.7
C20A—C19A—H19A	109.6	C20C—C19C—H19E	109.7
C18A—C19A—H19A	109.6	C18C—C19C—H19E	109.7
H19B—C19A—H19A	108.1	H19F—C19C—H19E	108.2
C19A—C20A—C21A	109.2 (3)	C25C—C20C—C21C	109.8 (3)
C19A—C20A—C25A	109.7 (3)	C25C—C20C—C19C	109.4 (3)
C21A—C20A—C25A	109.4 (3)	C21C—C20C—C19C	109.3 (3)
C19A—C20A—H20A	109.5	C25C—C20C—H20C	109.4
C21A—C20A—H20A	109.5	C21C—C20C—H20C	109.4
C25A—C20A—H20A	109.5	C19C—C20C—H20C	109.4
C20A—C21A—C22A	109.8 (3)	C22C—C21C—C20C	109.5 (3)
C20A—C21A—H21B	109.7	C22C—C21C—H21F	109.8
C22A—C21A—H21B	109.7	C20C—C21C—H21F	109.8
C20A—C21A—H21A	109.7	C22C—C21C—H21E	109.8
C22A—C21A—H21A	109.7	C20C—C21C—H21E	109.8
H21B—C21A—H21A	108.2	H21F—C21C—H21E	108.2
C26A—C22A—C21A	109.1 (3)	C21C—C22C—C23C	110.0 (3)
C26A—C22A—C23A	109.9 (3)	C21C—C22C—C26C	109.6 (3)
C21A—C22A—C23A	109.1 (3)	C23C—C22C—C26C	109.0 (3)
C26A—C22A—H22A	109.5	C21C—C22C—H22C	109.4
C21A—C22A—H22A	109.5	C23C—C22C—H22C	109.4
C23A—C22A—H22A	109.5	C26C—C22C—H22C	109.4
C24A—C23A—C22A	109.5 (2)	C22C—C23C—C24C	109.8 (2)
C24A—C23A—H23B	109.8	C22C—C23C—H23F	109.7
C22A—C23A—H23B	109.8	C24C—C23C—H23F	109.7
C24A—C23A—H23A	109.8	C22C—C23C—H23E	109.7
C22A—C23A—H23A	109.8	C24C—C23C—H23E	109.7
H23B—C23A—H23A	108.2	H23F—C23C—H23E	108.2
C17A—C24A—C25A	110.1 (2)	C17C—C24C—C25C	109.4 (2)
C17A—C24A—C23A	108.5 (2)	C17C—C24C—C23C	108.2 (2)
C25A—C24A—C23A	108.8 (3)	C25C—C24C—C23C	108.8 (2)
C17A—C24A—H24A	109.8	C17C—C24C—H24C	110.1
C25A—C24A—H24A	109.8	C25C—C24C—H24C	110.1
C23A—C24A—H24A	109.8	C23C—C24C—H24C	110.1
C20A—C25A—C24A	109.6 (2)	C20C—C25C—C24C	109.7 (2)
C20A—C25A—H25B	109.8	C20C—C25C—H25F	109.7
C24A—C25A—H25B	109.8	C24C—C25C—H25F	109.7
C20A—C25A—H25A	109.8	C20C—C25C—H25E	109.7
C24A—C25A—H25A	109.8	C24C—C25C—H25E	109.7
H25B—C25A—H25A	108.2	H25F—C25C—H25E	108.2
C22A—C26A—C18A	109.6 (2)	C22C—C26C—C18C	109.3 (2)
C22A—C26A—H26B	109.8	C22C—C26C—H26F	109.8
C18A—C26A—H26B	109.8	C18C—C26C—H26F	109.8
C22A—C26A—H26A	109.8	C22C—C26C—H26E	109.8
C18A—C26A—H26A	109.8	C18C—C26C—H26E	109.8
H26B—C26A—H26A	108.2	H26F—C26C—H26E	108.3
C2B—O1B—C1B	114.7 (2)	C2D—O1D—C1D	115.1 (2)
C5B—O3B—C6B	115.2 (2)	C5D—O3D—C6D	115.3 (2)
O1B—C1B—H1F	109.5	O1D—C1D—H1L	109.5
O1B—C1B—H1E	109.5	O1D—C1D—H1K	109.5
H1F—C1B—H1E	109.5	H1L—C1D—H1K	109.5
O1B—C1B—H1D	109.5	O1D—C1D—H1J	109.5
H1F—C1B—H1D	109.5	H1L—C1D—H1J	109.5
H1E—C1B—H1D	109.5	H1K—C1D—H1J	109.5
O2B—C2B—O1B	122.6 (3)	O2D—C2D—O1D	122.3 (2)
O2B—C2B—C3B	126.0 (3)	O2D—C2D—C3D	125.8 (2)
O1B—C2B—C3B	111.4 (2)	O1D—C2D—C3D	111.8 (2)
C7B—C3B—C2B	120.3 (2)	C7D—C3D—C2D	119.2 (2)
C7B—C3B—C4B	124.8 (2)	C7D—C3D—C4D	125.0 (2)
C2B—C3B—C4B	114.9 (2)	C2D—C3D—C4D	115.8 (2)
C17B—C4B—C5B	123.6 (2)	C17D—C4D—C5D	122.9 (2)
C17B—C4B—C3B	123.5 (2)	C17D—C4D—C3D	124.8 (2)
C5B—C4B—C3B	112.3 (2)	C5D—C4D—C3D	111.8 (2)
O4B—C5B—O3B	123.0 (3)	O4D—C5D—O3D	122.4 (2)
O4B—C5B—C4B	122.5 (3)	O4D—C5D—C4D	122.8 (2)
O3B—C5B—C4B	114.5 (2)	O3D—C5D—C4D	114.8 (2)
O3B—C6B—H6F	109.5	O3D—C6D—H6L	109.5
O3B—C6B—H6E	109.5	O3D—C6D—H6K	109.5
H6F—C6B—H6E	109.5	H6L—C6D—H6K	109.5
O3B—C6B—H6D	109.5	O3D—C6D—H6J	109.5
H6F—C6B—H6D	109.5	H6L—C6D—H6J	109.5
H6E—C6B—H6D	109.5	H6K—C6D—H6J	109.5
C3B—C7B—C14B	124.0 (2)	C3D—C7D—C14D	123.9 (2)
C3B—C7B—C8B	124.3 (2)	C3D—C7D—C8D	124.4 (2)
C14B—C7B—C8B	111.7 (2)	C14D—C7D—C8D	111.7 (2)
C7B—C8B—C16B	108.7 (2)	C7D—C8D—C9D	108.4 (2)
C7B—C8B—C9B	108.9 (2)	C7D—C8D—C16D	109.2 (2)
C16B—C8B—C9B	109.5 (2)	C9D—C8D—C16D	109.2 (2)
C7B—C8B—H8B	109.9	C7D—C8D—H8D	110.0
C16B—C8B—H8B	109.9	C9D—C8D—H8D	110.0
C9B—C8B—H8B	109.9	C16D—C8D—H8D	110.0
C10B—C9B—C8B	109.5 (2)	C8D—C9D—C10D	109.7 (2)
C10B—C9B—H9D	109.8	C8D—C9D—H9H	109.7
C8B—C9B—H9D	109.8	C10D—C9D—H9H	109.7
C10B—C9B—H9C	109.8	C8D—C9D—H9G	109.7
C8B—C9B—H9C	109.8	C10D—C9D—H9G	109.7
H9D—C9B—H9C	108.2	H9H—C9D—H9G	108.2
C9B—C10B—C11B	110.0 (2)	C15D—C10D—C9D	109.6 (2)
C9B—C10B—C15B	109.2 (2)	C15D—C10D—C11D	109.4 (2)
C11B—C10B—C15B	109.6 (3)	C9D—C10D—C11D	108.8 (2)
C9B—C10B—H10B	109.3	C15D—C10D—H10D	109.7
C11B—C10B—H10B	109.3	C9D—C10D—H10D	109.7
C15B—C10B—H10B	109.3	C11D—C10D—H10D	109.7
C12B—C11B—C10B	109.4 (2)	C12D—C11D—C10D	109.6 (2)
C12B—C11B—H11D	109.8	C12D—C11D—H11H	109.7
C10B—C11B—H11D	109.8	C10D—C11D—H11H	109.7
C12B—C11B—H11C	109.8	C12D—C11D—H11G	109.7
C10B—C11B—H11C	109.8	C10D—C11D—H11G	109.7
H11D—C11B—H11C	108.2	H11H—C11D—H11G	108.2
C13B—C12B—C11B	110.0 (3)	C16D—C12D—C11D	109.3 (2)
C13B—C12B—C16B	108.4 (2)	C16D—C12D—C13D	109.1 (2)
C11B—C12B—C16B	109.5 (3)	C11D—C12D—C13D	110.1 (2)
C13B—C12B—H12B	109.6	C16D—C12D—H12D	109.5
C11B—C12B—H12B	109.6	C11D—C12D—H12D	109.5
C16B—C12B—H12B	109.6	C13D—C12D—H12D	109.5
C12B—C13B—C14B	110.6 (2)	C12D—C13D—C14D	109.6 (2)
C12B—C13B—H13D	109.5	C12D—C13D—H13H	109.7
C14B—C13B—H13D	109.5	C14D—C13D—H13H	109.7
C12B—C13B—H13C	109.5	C12D—C13D—H13G	109.7
C14B—C13B—H13C	109.5	C14D—C13D—H13G	109.7
H13D—C13B—H13C	108.1	H13H—C13D—H13G	108.2
C7B—C14B—C13B	109.7 (2)	C7D—C14D—C13D	110.6 (2)
C7B—C14B—C15B	107.9 (2)	C7D—C14D—C15D	107.2 (2)
C13B—C14B—C15B	108.2 (2)	C13D—C14D—C15D	108.7 (2)
C7B—C14B—H14B	110.3	C7D—C14D—H14D	110.1
C13B—C14B—H14B	110.3	C13D—C14D—H14D	110.1
C15B—C14B—H14B	110.3	C15D—C14D—H14D	110.1
C10B—C15B—C14B	109.7 (2)	C10D—C15D—C14D	110.1 (2)
C10B—C15B—H15D	109.7	C10D—C15D—H15H	109.6
C14B—C15B—H15D	109.7	C14D—C15D—H15H	109.6
C10B—C15B—H15C	109.7	C10D—C15D—H15G	109.6
C14B—C15B—H15C	109.7	C14D—C15D—H15G	109.6
H15D—C15B—H15C	108.2	H15H—C15D—H15G	108.2
C8B—C16B—C12B	109.9 (2)	C12D—C16D—C8D	110.1 (2)
C8B—C16B—H16D	109.7	C12D—C16D—H16H	109.6
C12B—C16B—H16D	109.7	C8D—C16D—H16H	109.6
C8B—C16B—H16C	109.7	C12D—C16D—H16G	109.6
C12B—C16B—H16C	109.7	C8D—C16D—H16G	109.6
H16D—C16B—H16C	108.2	H16H—C16D—H16G	108.1
C4B—C17B—C18B	125.4 (2)	C4D—C17D—C24D	122.9 (2)
C4B—C17B—C24B	123.1 (2)	C4D—C17D—C18D	125.1 (2)
C18B—C17B—C24B	111.4 (2)	C24D—C17D—C18D	111.9 (2)
C17B—C18B—C19B	108.0 (2)	C17D—C18D—C26D	108.6 (2)
C17B—C18B—C26B	109.1 (2)	C17D—C18D—C19D	108.6 (2)
C19B—C18B—C26B	109.3 (2)	C26D—C18D—C19D	109.4 (2)
C17B—C18B—H18B	110.1	C17D—C18D—H18D	110.0
C19B—C18B—H18B	110.1	C26D—C18D—H18D	110.0
C26B—C18B—H18B	110.1	C19D—C18D—H18D	110.0
C20B—C19B—C18B	110.0 (2)	C20D—C19D—C18D	110.0 (2)
C20B—C19B—H19D	109.7	C20D—C19D—H19H	109.7
C18B—C19B—H19D	109.7	C18D—C19D—H19H	109.7
C20B—C19B—H19C	109.7	C20D—C19D—H19G	109.7
C18B—C19B—H19C	109.7	C18D—C19D—H19G	109.7
H19D—C19B—H19C	108.2	H19H—C19D—H19G	108.2
C25B—C20B—C21B	109.1 (3)	C21D—C20D—C19D	109.4 (2)
C25B—C20B—C19B	109.5 (3)	C21D—C20D—C25D	109.5 (2)
C21B—C20B—C19B	109.3 (3)	C19D—C20D—C25D	109.3 (2)
C25B—C20B—H20B	109.6	C21D—C20D—H20D	109.5
C21B—C20B—H20B	109.6	C19D—C20D—H20D	109.5
C19B—C20B—H20B	109.6	C25D—C20D—H20D	109.5
C20B—C21B—C22B	109.7 (3)	C20D—C21D—C22D	109.6 (2)
C20B—C21B—H21D	109.7	C20D—C21D—H21H	109.8
C22B—C21B—H21D	109.7	C22D—C21D—H21H	109.8
C20B—C21B—H21C	109.7	C20D—C21D—H21G	109.8
C22B—C21B—H21C	109.7	C22D—C21D—H21G	109.8
H21D—C21B—H21C	108.2	H21H—C21D—H21G	108.2
C26B—C22B—C21B	109.5 (3)	C23D—C22D—C21D	110.3 (3)
C26B—C22B—C23B	109.2 (3)	C23D—C22D—C26D	108.8 (2)
C21B—C22B—C23B	109.9 (3)	C21D—C22D—C26D	109.2 (2)
C26B—C22B—H22B	109.4	C23D—C22D—H22D	109.5
C21B—C22B—H22B	109.4	C21D—C22D—H22D	109.5
C23B—C22B—H22B	109.4	C26D—C22D—H22D	109.5
C22B—C23B—C24B	109.6 (2)	C22D—C23D—C24D	110.1 (2)
C22B—C23B—H23D	109.7	C22D—C23D—H23H	109.6
C24B—C23B—H23D	109.7	C24D—C23D—H23H	109.6
C22B—C23B—H23C	109.7	C22D—C23D—H23G	109.6
C24B—C23B—H23C	109.7	C24D—C23D—H23G	109.6
H23D—C23B—H23C	108.2	H23H—C23D—H23G	108.2
C17B—C24B—C25B	108.8 (2)	C17D—C24D—C23D	108.2 (2)
C17B—C24B—C23B	109.0 (2)	C17D—C24D—C25D	109.3 (2)
C25B—C24B—C23B	108.7 (2)	C23D—C24D—C25D	109.0 (2)
C17B—C24B—H24B	110.1	C17D—C24D—H24D	110.1
C25B—C24B—H24B	110.1	C23D—C24D—H24D	110.1
C23B—C24B—H24B	110.1	C25D—C24D—H24D	110.1
C20B—C25B—C24B	110.4 (2)	C20D—C25D—C24D	109.6 (2)
C20B—C25B—H25D	109.6	C20D—C25D—H25H	109.8
C24B—C25B—H25D	109.6	C24D—C25D—H25H	109.7
C20B—C25B—H25C	109.6	C20D—C25D—H25G	109.8
C24B—C25B—H25C	109.6	C24D—C25D—H25G	109.8
H25D—C25B—H25C	108.1	H25H—C25D—H25G	108.2
C22B—C26B—C18B	109.9 (2)	C18D—C26D—C22D	109.5 (2)
C22B—C26B—H26D	109.7	C18D—C26D—H26H	109.8
C18B—C26B—H26D	109.7	C22D—C26D—H26H	109.8
C22B—C26B—H26C	109.7	C18D—C26D—H26G	109.8
C18B—C26B—H26C	109.7	C22D—C26D—H26G	109.8
H26D—C26B—H26C	108.2	H26H—C26D—H26G	108.2
C1A—O1A—C2A—O2A	0.4 (4)	C1C—O1C—C2C—O2C	0.7 (4)
C1A—O1A—C2A—C3A	178.4 (2)	C1C—O1C—C2C—C3C	−178.8 (2)
O2A—C2A—C3A—C7A	47.3 (4)	O2C—C2C—C3C—C7C	−48.9 (4)
O1A—C2A—C3A—C7A	−130.7 (3)	O1C—C2C—C3C—C7C	130.6 (3)
O2A—C2A—C3A—C4A	−130.2 (3)	O2C—C2C—C3C—C4C	130.0 (3)
O1A—C2A—C3A—C4A	51.8 (3)	O1C—C2C—C3C—C4C	−50.6 (3)
C7A—C3A—C4A—C17A	74.3 (4)	C7C—C3C—C4C—C17C	−75.2 (4)
C2A—C3A—C4A—C17A	−108.3 (3)	C2C—C3C—C4C—C17C	106.1 (3)
C7A—C3A—C4A—C5A	−112.7 (3)	C7C—C3C—C4C—C5C	112.2 (3)
C2A—C3A—C4A—C5A	64.7 (3)	C2C—C3C—C4C—C5C	−66.5 (3)
C6A—O3A—C5A—O4A	−4.0 (4)	C6C—O3C—C5C—O4C	4.3 (4)
C6A—O3A—C5A—C4A	178.5 (2)	C6C—O3C—C5C—C4C	−179.1 (2)
C17A—C4A—C5A—O4A	129.6 (3)	C17C—C4C—C5C—O4C	−129.6 (3)
C3A—C4A—C5A—O4A	−43.4 (4)	C3C—C4C—C5C—O4C	43.1 (4)
C17A—C4A—C5A—O3A	−52.9 (4)	C17C—C4C—C5C—O3C	53.7 (3)
C3A—C4A—C5A—O3A	134.1 (2)	C3C—C4C—C5C—O3C	−133.5 (2)
C2A—C3A—C7A—C8A	5.2 (4)	C2C—C3C—C7C—C14C	174.9 (2)
C4A—C3A—C7A—C8A	−177.6 (3)	C4C—C3C—C7C—C14C	−3.8 (4)
C2A—C3A—C7A—C14A	−171.9 (3)	C2C—C3C—C7C—C8C	−5.1 (4)
C4A—C3A—C7A—C14A	5.3 (5)	C4C—C3C—C7C—C8C	176.2 (2)
C3A—C7A—C8A—C9A	−115.8 (3)	C3C—C7C—C8C—C9C	119.1 (3)
C14A—C7A—C8A—C9A	61.7 (3)	C14C—C7C—C8C—C9C	−60.9 (3)
C3A—C7A—C8A—C16A	125.5 (3)	C3C—C7C—C8C—C16C	−121.9 (3)
C14A—C7A—C8A—C16A	−57.1 (3)	C14C—C7C—C8C—C16C	58.1 (3)
C7A—C8A—C9A—C10A	−59.4 (3)	C7C—C8C—C9C—C10C	58.8 (3)
C16A—C8A—C9A—C10A	59.5 (3)	C16C—C8C—C9C—C10C	−59.9 (3)
C8A—C9A—C10A—C11A	−61.0 (3)	C8C—C9C—C10C—C15C	−59.1 (3)
C8A—C9A—C10A—C15A	58.8 (3)	C8C—C9C—C10C—C11C	60.6 (3)
C9A—C10A—C11A—C12A	61.1 (3)	C9C—C10C—C11C—C12C	−60.2 (3)
C15A—C10A—C11A—C12A	−58.8 (3)	C15C—C10C—C11C—C12C	59.5 (3)
C10A—C11A—C12A—C16A	−59.8 (3)	C10C—C11C—C12C—C13C	−59.9 (3)
C10A—C11A—C12A—C13A	58.8 (3)	C10C—C11C—C12C—C16C	59.5 (3)
C16A—C12A—C13A—C14A	59.7 (3)	C11C—C12C—C13C—C14C	60.8 (3)
C11A—C12A—C13A—C14A	−59.6 (3)	C16C—C12C—C13C—C14C	−59.1 (3)
C3A—C7A—C14A—C15A	116.0 (3)	C3C—C7C—C14C—C13C	122.7 (3)
C8A—C7A—C14A—C15A	−61.4 (3)	C8C—C7C—C14C—C13C	−57.3 (3)
C3A—C7A—C14A—C13A	−125.4 (3)	C3C—C7C—C14C—C15C	−119.3 (3)
C8A—C7A—C14A—C13A	57.1 (3)	C8C—C7C—C14C—C15C	60.7 (3)
C12A—C13A—C14A—C7A	−58.2 (3)	C12C—C13C—C14C—C7C	57.3 (3)
C12A—C13A—C14A—C15A	59.7 (3)	C12C—C13C—C14C—C15C	−60.3 (3)
C7A—C14A—C15A—C10A	59.5 (3)	C9C—C10C—C15C—C14C	59.6 (3)
C13A—C14A—C15A—C10A	−60.2 (3)	C11C—C10C—C15C—C14C	−59.8 (3)
C9A—C10A—C15A—C14A	−59.4 (3)	C7C—C14C—C15C—C10C	−59.5 (3)
C11A—C10A—C15A—C14A	60.1 (3)	C13C—C14C—C15C—C10C	60.0 (3)
C13A—C12A—C16A—C8A	−61.0 (3)	C11C—C12C—C16C—C8C	−58.8 (3)
C11A—C12A—C16A—C8A	58.9 (3)	C13C—C12C—C16C—C8C	61.0 (3)
C7A—C8A—C16A—C12A	59.8 (3)	C7C—C8C—C16C—C12C	−59.9 (3)
C9A—C8A—C16A—C12A	−58.8 (3)	C9C—C8C—C16C—C12C	58.8 (3)
C5A—C4A—C17A—C24A	−178.9 (2)	C3C—C4C—C17C—C24C	4.7 (4)
C3A—C4A—C17A—C24A	−6.7 (4)	C5C—C4C—C17C—C24C	176.5 (2)
C5A—C4A—C17A—C18A	0.4 (4)	C3C—C4C—C17C—C18C	−172.5 (2)
C3A—C4A—C17A—C18A	172.6 (2)	C5C—C4C—C17C—C18C	−0.8 (4)
C4A—C17A—C18A—C19A	−120.8 (3)	C4C—C17C—C18C—C19C	118.8 (3)
C24A—C17A—C18A—C19A	58.6 (3)	C24C—C17C—C18C—C19C	−58.7 (3)
C4A—C17A—C18A—C26A	120.3 (3)	C4C—C17C—C18C—C26C	−122.1 (3)
C24A—C17A—C18A—C26A	−60.3 (3)	C24C—C17C—C18C—C26C	60.3 (3)
C17A—C18A—C19A—C20A	−59.4 (3)	C17C—C18C—C19C—C20C	58.9 (3)
C26A—C18A—C19A—C20A	59.6 (3)	C26C—C18C—C19C—C20C	−59.4 (3)
C18A—C19A—C20A—C21A	−59.6 (3)	C18C—C19C—C20C—C25C	−60.4 (3)
C18A—C19A—C20A—C25A	60.3 (3)	C18C—C19C—C20C—C21C	59.9 (3)
C19A—C20A—C21A—C22A	59.8 (3)	C25C—C20C—C21C—C22C	59.6 (3)
C25A—C20A—C21A—C22A	−60.2 (3)	C19C—C20C—C21C—C22C	−60.5 (3)
C20A—C21A—C22A—C26A	−60.5 (3)	C20C—C21C—C22C—C23C	−59.1 (3)
C20A—C21A—C22A—C23A	59.7 (3)	C20C—C21C—C22C—C26C	60.7 (3)
C26A—C22A—C23A—C24A	59.9 (4)	C21C—C22C—C23C—C24C	59.5 (4)
C21A—C22A—C23A—C24A	−59.8 (4)	C26C—C22C—C23C—C24C	−60.6 (4)
C4A—C17A—C24A—C25A	120.9 (3)	C4C—C17C—C24C—C25C	−119.2 (3)
C18A—C17A—C24A—C25A	−58.5 (3)	C18C—C17C—C24C—C25C	58.4 (3)
C4A—C17A—C24A—C23A	−120.1 (3)	C4C—C17C—C24C—C23C	122.4 (3)
C18A—C17A—C24A—C23A	60.5 (3)	C18C—C17C—C24C—C23C	−60.0 (3)
C22A—C23A—C24A—C17A	−59.6 (3)	C22C—C23C—C24C—C17C	59.3 (3)
C22A—C23A—C24A—C25A	60.3 (3)	C22C—C23C—C24C—C25C	−59.4 (3)
C19A—C20A—C25A—C24A	−59.0 (3)	C21C—C20C—C25C—C24C	−60.3 (3)
C21A—C20A—C25A—C24A	60.7 (3)	C19C—C20C—C25C—C24C	59.7 (3)
C17A—C24A—C25A—C20A	58.1 (3)	C17C—C24C—C25C—C20C	−58.1 (3)
C23A—C24A—C25A—C20A	−60.7 (3)	C23C—C24C—C25C—C20C	59.9 (3)
C21A—C22A—C26A—C18A	60.4 (3)	C21C—C22C—C26C—C18C	−59.9 (3)
C23A—C22A—C26A—C18A	−59.2 (3)	C23C—C22C—C26C—C18C	60.5 (3)
C17A—C18A—C26A—C22A	58.8 (3)	C17C—C18C—C26C—C22C	−59.4 (3)
C19A—C18A—C26A—C22A	−59.9 (3)	C19C—C18C—C26C—C22C	59.2 (3)
C1B—O1B—C2B—O2B	−0.6 (4)	C1D—O1D—C2D—O2D	−0.9 (4)
C1B—O1B—C2B—C3B	177.9 (2)	C1D—O1D—C2D—C3D	−179.8 (2)
O2B—C2B—C3B—C7B	47.7 (4)	O2D—C2D—C3D—C7D	−48.5 (4)
O1B—C2B—C3B—C7B	−130.8 (3)	O1D—C2D—C3D—C7D	130.3 (3)
O2B—C2B—C3B—C4B	−130.5 (3)	O2D—C2D—C3D—C4D	130.7 (3)
O1B—C2B—C3B—C4B	51.0 (3)	O1D—C2D—C3D—C4D	−50.5 (3)
C7B—C3B—C4B—C17B	78.1 (4)	C7D—C3D—C4D—C17D	−74.6 (4)
C2B—C3B—C4B—C17B	−103.8 (3)	C2D—C3D—C4D—C17D	106.2 (3)
C7B—C3B—C4B—C5B	−110.5 (3)	C7D—C3D—C4D—C5D	112.4 (3)
C2B—C3B—C4B—C5B	67.7 (3)	C2D—C3D—C4D—C5D	−66.7 (3)
C6B—O3B—C5B—O4B	−2.4 (4)	C6D—O3D—C5D—O4D	3.3 (4)
C6B—O3B—C5B—C4B	−179.7 (2)	C6D—O3D—C5D—C4D	−179.2 (2)
C17B—C4B—C5B—O4B	130.6 (3)	C17D—C4D—C5D—O4D	−130.2 (3)
C3B—C4B—C5B—O4B	−40.9 (4)	C3D—C4D—C5D—O4D	42.9 (4)
C17B—C4B—C5B—O3B	−52.1 (4)	C17D—C4D—C5D—O3D	52.4 (3)
C3B—C4B—C5B—O3B	136.4 (2)	C3D—C4D—C5D—O3D	−134.6 (2)
C2B—C3B—C7B—C14B	−175.6 (3)	C2D—C3D—C7D—C14D	173.9 (2)
C4B—C3B—C7B—C14B	2.5 (5)	C4D—C3D—C7D—C14D	−5.3 (4)
C2B—C3B—C7B—C8B	5.3 (4)	C2D—C3D—C7D—C8D	−4.7 (4)
C4B—C3B—C7B—C8B	−176.6 (3)	C4D—C3D—C7D—C8D	176.1 (2)
C3B—C7B—C8B—C16B	120.4 (3)	C3D—C7D—C8D—C9D	116.9 (3)
C14B—C7B—C8B—C16B	−58.8 (3)	C14D—C7D—C8D—C9D	−61.9 (3)
C3B—C7B—C8B—C9B	−120.3 (3)	C3D—C7D—C8D—C16D	−124.3 (3)
C14B—C7B—C8B—C9B	60.5 (3)	C14D—C7D—C8D—C16D	57.0 (3)
C7B—C8B—C9B—C10B	−59.5 (3)	C7D—C8D—C9D—C10D	59.1 (3)
C16B—C8B—C9B—C10B	59.3 (3)	C16D—C8D—C9D—C10D	−59.8 (3)
C8B—C9B—C10B—C11B	−60.2 (3)	C8D—C9D—C10D—C15D	−59.0 (3)
C8B—C9B—C10B—C15B	60.1 (3)	C8D—C9D—C10D—C11D	60.6 (3)
C9B—C10B—C11B—C12B	60.5 (3)	C15D—C10D—C11D—C12D	59.0 (3)
C15B—C10B—C11B—C12B	−59.6 (3)	C9D—C10D—C11D—C12D	−60.7 (3)
C10B—C11B—C12B—C13B	59.5 (3)	C10D—C11D—C12D—C16D	60.3 (3)
C10B—C11B—C12B—C16B	−59.5 (3)	C10D—C11D—C12D—C13D	−59.5 (3)
C11B—C12B—C13B—C14B	−60.3 (3)	C16D—C12D—C13D—C14D	−59.7 (3)
C16B—C12B—C13B—C14B	59.4 (3)	C11D—C12D—C13D—C14D	60.3 (3)
C3B—C7B—C14B—C13B	−121.6 (3)	C3D—C7D—C14D—C13D	124.3 (3)
C8B—C7B—C14B—C13B	57.6 (3)	C8D—C7D—C14D—C13D	−56.9 (3)
C3B—C7B—C14B—C15B	120.7 (3)	C3D—C7D—C14D—C15D	−117.3 (3)
C8B—C7B—C14B—C15B	−60.1 (3)	C8D—C7D—C14D—C15D	61.5 (3)
C12B—C13B—C14B—C7B	−57.9 (3)	C12D—C13D—C14D—C7D	57.6 (3)
C12B—C13B—C14B—C15B	59.6 (3)	C12D—C13D—C14D—C15D	−59.9 (3)
C9B—C10B—C15B—C14B	−60.4 (3)	C9D—C10D—C15D—C14D	59.5 (3)
C11B—C10B—C15B—C14B	60.2 (3)	C11D—C10D—C15D—C14D	−59.7 (3)
C7B—C14B—C15B—C10B	59.3 (3)	C7D—C14D—C15D—C10D	−59.5 (3)
C13B—C14B—C15B—C10B	−59.4 (3)	C13D—C14D—C15D—C10D	60.1 (3)
C7B—C8B—C16B—C12B	60.0 (3)	C11D—C12D—C16D—C8D	−59.5 (3)
C9B—C8B—C16B—C12B	−58.9 (3)	C13D—C12D—C16D—C8D	60.9 (3)
C13B—C12B—C16B—C8B	−60.8 (3)	C7D—C8D—C16D—C12D	−59.1 (3)
C11B—C12B—C16B—C8B	59.2 (3)	C9D—C8D—C16D—C12D	59.3 (3)
C5B—C4B—C17B—C18B	2.9 (4)	C5D—C4D—C17D—C24D	175.8 (2)
C3B—C4B—C17B—C18B	173.5 (2)	C3D—C4D—C17D—C24D	3.6 (4)
C5B—C4B—C17B—C24B	−174.6 (2)	C5D—C4D—C17D—C18D	−0.7 (4)
C3B—C4B—C17B—C24B	−4.1 (4)	C3D—C4D—C17D—C18D	−172.8 (2)
C4B—C17B—C18B—C19B	−117.5 (3)	C4D—C17D—C18D—C19D	117.6 (3)
C24B—C17B—C18B—C19B	60.3 (3)	C24D—C17D—C18D—C19D	−59.2 (3)
C4B—C17B—C18B—C26B	123.8 (3)	C4D—C17D—C18D—C26D	−123.4 (3)
C24B—C17B—C18B—C26B	−58.4 (3)	C24D—C17D—C18D—C26D	59.8 (3)
C17B—C18B—C19B—C20B	−59.8 (3)	C17D—C18D—C19D—C20D	59.2 (3)
C26B—C18B—C19B—C20B	58.8 (3)	C26D—C18D—C19D—C20D	−59.2 (3)
C18B—C19B—C20B—C25B	59.9 (3)	C18D—C19D—C20D—C21D	59.6 (3)
C18B—C19B—C20B—C21B	−59.5 (3)	C18D—C19D—C20D—C25D	−60.4 (3)
C25B—C20B—C21B—C22B	−59.6 (3)	C19D—C20D—C21D—C22D	−60.3 (3)
C19B—C20B—C21B—C22B	60.1 (3)	C25D—C20D—C21D—C22D	59.6 (3)
C20B—C21B—C22B—C26B	−60.5 (3)	C20D—C21D—C22D—C23D	−59.0 (3)
C20B—C21B—C22B—C23B	59.4 (3)	C20D—C21D—C22D—C26D	60.6 (3)
C26B—C22B—C23B—C24B	60.6 (3)	C21D—C22D—C23D—C24D	59.0 (3)
C21B—C22B—C23B—C24B	−59.5 (3)	C26D—C22D—C23D—C24D	−60.8 (3)
C4B—C17B—C24B—C25B	118.2 (3)	C4D—C17D—C24D—C23D	123.5 (3)
C18B—C17B—C24B—C25B	−59.6 (3)	C18D—C17D—C24D—C23D	−59.7 (3)
C4B—C17B—C24B—C23B	−123.4 (3)	C4D—C17D—C24D—C25D	−117.9 (3)
C18B—C17B—C24B—C23B	58.7 (3)	C18D—C17D—C24D—C25D	58.9 (3)
C22B—C23B—C24B—C17B	−59.1 (3)	C22D—C23D—C24D—C17D	59.7 (3)
C22B—C23B—C24B—C25B	59.3 (3)	C22D—C23D—C24D—C25D	−59.0 (3)
C21B—C20B—C25B—C24B	60.6 (3)	C21D—C20D—C25D—C24D	−60.4 (3)
C19B—C20B—C25B—C24B	−59.0 (3)	C19D—C20D—C25D—C24D	59.5 (3)
C17B—C24B—C25B—C20B	58.2 (3)	C17D—C24D—C25D—C20D	−58.3 (3)
C23B—C24B—C25B—C20B	−60.4 (3)	C23D—C24D—C25D—C20D	59.8 (3)
C21B—C22B—C26B—C18B	59.9 (3)	C17D—C18D—C26D—C22D	−59.0 (3)
C23B—C22B—C26B—C18B	−60.4 (3)	C19D—C18D—C26D—C22D	59.4 (3)
C17B—C18B—C26B—C22B	58.9 (3)	C23D—C22D—C26D—C18D	60.3 (3)
C19B—C18B—C26B—C22B	−59.0 (3)	C21D—C22D—C26D—C18D	−60.2 (3)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C8A—H8A···O2A	1.00	2.35	3.003 (4)	122
C8B—H8B···O2B	1.00	2.34	3.019 (4)	125
C8C—H8C···O2C	1.00	2.34	3.012 (3)	124
C8D—H8D···O2D	1.00	2.35	3.008 (3)	123
C18A—H18A···O3A	1.00	2.34	2.999 (4)	123
C18B—H18B···O3B	1.00	2.31	3.002 (3)	126
C18C—H18C···O3C	1.00	2.33	3.006 (3)	124
C18D—H18D···O3D	1.00	2.32	3.005 (3)	125
C6A—H6C···O4A^i	0.98	2.58	3.463 (4)	149
C6B—H6F···O4B^ii	0.98	2.51	3.440 (4)	159
C6C—H6I···O4D^iii	0.98	2.66	3.454 (4)	138
C6D—H6K···O4C^iv	0.98	2.64	3.460 (4)	141
C13A—H13B···O4B^v	0.99	2.69	3.437 (4)	133
C13B—H13D···O4A^v	0.99	2.62	3.334 (4)	129
C13C—H13E···O4C^vi	0.99	2.61	3.353 (4)	132
C13D—H13G···O4D^vii	0.99	2.65	3.391 (4)	132
C23A—H23B···O4B^v	0.99	2.70	3.499 (4)	138
C23B—H23C···O4A^v	0.99	2.63	3.364 (4)	131
C23C—H23F···O4C^vi	0.99	2.69	3.469 (4)	135
C23D—H23H···O4D^vii	0.99	2.62	3.391 (3)	134
C26A—H26B···O2C	0.99	2.62	3.590 (3)	166
C26C—H26E···O2B^viii	0.99	2.58	3.556 (3)	167

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, −y+1, −z+2; (iii) x+1/2, −y+1/2, z−1/2; (iv) x−1/2, −y+1/2, z+1/2; (v) −x+1/2, y−1/2, −z+3/2; (vi) −x+1/2, y+1/2, −z+1/2; (vii) −x+1/2, y+1/2, −z+3/2; (viii) x, y, z−1.