Crystal structure and mesogenic behaviour of a new fluorene derivative: 9,9-dimethyl-2,7-bis­(4-pentyl­phen­yl)-9H-fluorene

The title com­pound, C₃₇H₄₂, is a new mesogenic com­pound containing the fluorene moiety. It exhibits enanti­otropic nematic liquid crystalline behaviour with melting at 125 °C and isotropization at 175 °C. The crystallographically independent unit contains two mol­ecules oriented face-to-edge with respect to each other. The two mol­ecules have nearly the same conformation of the bis-phenyl fluorene moiety. The mol­ecular packing in the crystal phase is nematic-like.

Computing details

Data collection: COLLECT (Nonius, 1999); cell refinement: DIRAX/LSQ (Duisenberg et al., 2000); data reduction: EVALCCD (Duisenberg et al., 2003); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL2016 (Sheldrick, 2015); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae et al., 2008); software used to prepare material for publication: WinGX (Farrugia, 2012) and PARST97 (Nardelli, 1983, 1995).

9,9-Bimethyl-2,7-bis(4-pentylphenyl)-9H-fluorene

Crystal data

C37H42	Dx = 1.121 Mg m^−3
Mr = 486.70	Melting point: 398 K
Orthorhombic, Pna21	Mo Kα radiation, λ = 0.71073 Å
a = 24.3720 (11) Å	Cell parameters from 275 reflections
b = 31.382 (7) Å	θ = 3.5–23.7°
c = 7.543 (7) Å	µ = 0.06 mm^−1
V = 5769 (6) Å^3	T = 173 K
Z = 8	Prism, colourless
F(000) = 2112	0.40 × 0.40 × 0.30 mm

Data collection

Bruker–Nonius KappaCCD diffractometer	13032 independent reflections
Radiation source: normal-focus sealed tube	9507 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.046
Detector resolution: 9 pixels mm^-1	θmax = 27.5°, θmin = 2.1°
CCD rotation images, thick slices scans	h = −31→31
Absorption correction: multi-scan (SADABS; Bruker–Nonius, 2002)	k = −40→40
Tmin = 0.965, Tmax = 0.971	l = −9→9
45371 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.055	H-atom parameters constrained
wR(F^2) = 0.141	w = 1/[σ^2(Fo^2) + (0.0682P)^2 + 1.1839P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max < 0.001
13032 reflections	Δρmax = 0.28 e Å^−3
675 parameters	Δρmin = −0.31 e Å^−3
1 restraint	Absolute structure: Flack x determined using 3372 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013) The reliability of the determination of the absolute structure is poor, owing to the absence of heavy atoms (only C and H present)
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −2.0 (10)

Special details

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

Refinement. Data were collected at 173 K on a Bruker–Nonius Kappa CCD diffractometer equipped with an Oxford Cryostream 700 apparatus. For the data collection, a single crystal was attached to the tip of a glass fiber with epoxy glue. Reduction of data and semiempirical absorption correction were done using SADABS program (Bruker-Nonius, 2002).

The structure was solved by direct methods and refined by the full-matrix least-squares method with anisotropic displacement parameters for non-H atoms.

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

	x	y	z	Uiso*/Ueq
C1A	−0.4487 (2)	−0.56970 (13)	−0.3729 (8)	0.0767 (15)
H1AA	−0.434389	−0.573372	−0.493423	0.115*
H1AB	−0.488830	−0.571237	−0.375139	0.115*
H1AC	−0.434218	−0.592298	−0.296414	0.115*
C2A	−0.4314 (2)	−0.52750 (14)	−0.3029 (8)	0.0736 (14)
H2AA	−0.439936	−0.526475	−0.174709	0.088*
H2AB	−0.391044	−0.525086	−0.315432	0.088*
C3A	−0.4565 (2)	−0.49080 (11)	−0.3879 (7)	0.0609 (12)
H3AA	−0.496763	−0.494961	−0.385887	0.073*
H3AB	−0.445012	−0.490669	−0.513738	0.073*
C4A	−0.4443 (2)	−0.44689 (12)	−0.3108 (6)	0.0619 (12)
H4AA	−0.458049	−0.446073	−0.187339	0.074*
H4AB	−0.404011	−0.443066	−0.306293	0.074*
C5A	−0.4675 (2)	−0.41175 (12)	−0.4054 (6)	0.0702 (14)
H5AA	−0.507377	−0.417116	−0.416604	0.084*
H5AB	−0.452061	−0.412237	−0.526795	0.084*
C6A	−0.46038 (18)	−0.36656 (11)	−0.3335 (5)	0.0493 (10)
C7A	−0.50293 (17)	−0.33783 (11)	−0.3559 (6)	0.0479 (10)
H7A	−0.536227	−0.347247	−0.408335	0.057*
C8A	−0.49813 (14)	−0.29578 (10)	−0.3038 (5)	0.0401 (8)
H8A	−0.528240	−0.276997	−0.320765	0.048*
C9A	−0.44989 (13)	−0.28024 (10)	−0.2266 (4)	0.0298 (7)
C10A	−0.40737 (15)	−0.30942 (10)	−0.1993 (5)	0.0378 (8)
H10A	−0.374508	−0.300392	−0.142951	0.045*
C11A	−0.41273 (16)	−0.35150 (11)	−0.2539 (5)	0.0455 (9)
H11A	−0.382938	−0.370559	−0.236210	0.055*
C12A	−0.44435 (12)	−0.23457 (10)	−0.1782 (4)	0.0277 (7)
C13A	−0.46629 (12)	−0.20277 (9)	−0.2900 (4)	0.0263 (6)
H13A	−0.486269	−0.210566	−0.393204	0.032*
C14A	−0.45859 (11)	−0.16025 (9)	−0.2490 (4)	0.0242 (6)
C15A	−0.42977 (12)	−0.14829 (9)	−0.0952 (4)	0.0237 (6)
C16A	−0.40921 (12)	−0.17944 (10)	0.0175 (4)	0.0275 (7)
H16A	−0.390485	−0.171656	0.123078	0.033*
C17A	−0.41632 (12)	−0.22205 (10)	−0.0258 (4)	0.0298 (7)
H17A	−0.401665	−0.243278	0.050486	0.036*
C18A	−0.47537 (11)	−0.12127 (9)	−0.3569 (4)	0.0242 (6)
C19A	−0.45204 (13)	−0.12304 (10)	−0.5461 (4)	0.0284 (7)
H19A	−0.411998	−0.125596	−0.540840	0.043*
H19B	−0.461933	−0.096925	−0.609772	0.043*
H19C	−0.467319	−0.147748	−0.608433	0.043*
C20A	−0.53813 (11)	−0.11581 (10)	−0.3646 (4)	0.0302 (7)
H20A	−0.554491	−0.140523	−0.423866	0.045*
H20B	−0.547101	−0.089881	−0.431006	0.045*
H20C	−0.552721	−0.113538	−0.243935	0.045*
C21A	−0.44894 (11)	−0.08554 (9)	−0.2491 (4)	0.0230 (6)
C22A	−0.44588 (12)	−0.04263 (9)	−0.2894 (4)	0.0256 (6)
H22A	−0.463076	−0.032037	−0.393448	0.031*
C23A	−0.41733 (12)	−0.01459 (9)	−0.1765 (4)	0.0247 (6)
C24A	−0.39418 (12)	−0.03110 (10)	−0.0207 (4)	0.0280 (7)
H24A	−0.375861	−0.012331	0.058394	0.034*
C25A	−0.39731 (12)	−0.07410 (10)	0.0210 (4)	0.0265 (7)
H25A	−0.381323	−0.084598	0.127219	0.032*
C26A	−0.42415 (11)	−0.10164 (9)	−0.0947 (4)	0.0228 (6)
C27A	−0.41043 (12)	0.03096 (9)	−0.2242 (4)	0.0252 (6)
C28A	−0.45126 (12)	0.05265 (9)	−0.3208 (4)	0.0278 (7)
H28A	−0.483957	0.038177	−0.353574	0.033*
C29A	−0.44411 (12)	0.09487 (9)	−0.3683 (4)	0.0295 (7)
H29A	−0.472369	0.108970	−0.432220	0.035*
C30A	−0.39671 (13)	0.11724 (10)	−0.3251 (4)	0.0299 (7)
C31A	−0.35649 (13)	0.09573 (10)	−0.2289 (4)	0.0305 (7)
H31A	−0.323802	0.110268	−0.196531	0.037*
C32A	−0.36334 (12)	0.05346 (10)	−0.1796 (4)	0.0295 (7)
H32A	−0.335244	0.039634	−0.113961	0.035*
C33A	−0.39050 (14)	0.16347 (10)	−0.3800 (5)	0.0371 (8)
H33A	−0.352677	0.172866	−0.352491	0.045*
H33B	−0.395478	0.165518	−0.510028	0.045*
C34A	−0.43049 (15)	0.19354 (10)	−0.2909 (5)	0.0411 (8)
H34A	−0.423804	0.192963	−0.161480	0.049*
H34B	−0.468247	0.183037	−0.311654	0.049*
C35A	−0.42675 (15)	0.23957 (10)	−0.3551 (5)	0.0406 (8)
H35A	−0.389019	0.250181	−0.334813	0.049*
H35B	−0.433786	0.240324	−0.484335	0.049*
C36A	−0.46666 (15)	0.26878 (11)	−0.2637 (6)	0.0484 (10)
H36A	−0.459559	0.267788	−0.134528	0.058*
H36B	−0.504288	0.257911	−0.283773	0.058*
C37A	−0.46420 (17)	0.31461 (11)	−0.3239 (6)	0.0550 (11)
H37A	−0.469673	0.315951	−0.452497	0.083*
H37B	−0.428267	0.326641	−0.293956	0.083*
H37C	−0.493046	0.330990	−0.264364	0.083*
C1B	−0.34675 (18)	−0.57872 (11)	0.1491 (6)	0.0543 (11)
H1BA	−0.328260	−0.581258	0.034207	0.081*
H1BB	−0.386577	−0.579592	0.131468	0.081*
H1BC	−0.335611	−0.602375	0.225857	0.081*
C2B	−0.33097 (18)	−0.53676 (11)	0.2354 (5)	0.0488 (10)
H2BA	−0.349099	−0.534686	0.352565	0.059*
H2BB	−0.290819	−0.536325	0.255141	0.059*
C3B	−0.34673 (16)	−0.49909 (10)	0.1260 (5)	0.0411 (8)
H3BA	−0.386881	−0.499964	0.106392	0.049*
H3BB	−0.328822	−0.501697	0.008736	0.049*
C4B	−0.33199 (16)	−0.45572 (10)	0.2042 (5)	0.0407 (8)
H4BA	−0.350728	−0.452317	0.319819	0.049*
H4BB	−0.291942	−0.454570	0.225721	0.049*
C5B	−0.34813 (19)	−0.41938 (11)	0.0839 (5)	0.0519 (10)
H5BA	−0.387988	−0.421565	0.060281	0.062*
H5BB	−0.328954	−0.423160	−0.030731	0.062*
C6B	−0.33630 (16)	−0.37497 (10)	0.1506 (5)	0.0417 (9)
C7B	−0.37469 (15)	−0.35271 (10)	0.2498 (5)	0.0399 (8)
H7B	−0.408285	−0.366212	0.280162	0.048*
C8B	−0.36536 (14)	−0.31148 (10)	0.3055 (5)	0.0348 (8)
H8B	−0.392413	−0.297379	0.374598	0.042*
C9B	−0.31700 (13)	−0.29007 (10)	0.2623 (4)	0.0292 (7)
C10B	−0.27764 (13)	−0.31271 (10)	0.1653 (5)	0.0345 (8)
H10B	−0.243960	−0.299280	0.135313	0.041*
C11B	−0.28696 (16)	−0.35435 (11)	0.1123 (5)	0.0424 (9)
H11B	−0.259235	−0.369152	0.048678	0.051*
C12B	−0.30819 (12)	−0.24467 (10)	0.3124 (4)	0.0272 (7)
C13B	−0.27935 (11)	−0.21735 (10)	0.2006 (4)	0.0283 (7)
H13B	−0.263069	−0.227943	0.095026	0.034*
C14B	−0.27453 (11)	−0.17454 (10)	0.2444 (4)	0.0271 (7)
C15B	−0.29816 (12)	−0.15857 (10)	0.4001 (4)	0.0255 (7)
C16B	−0.32594 (12)	−0.18591 (10)	0.5147 (4)	0.0284 (7)
H16B	−0.341289	−0.175412	0.621904	0.034*
C17B	−0.33091 (12)	−0.22864 (10)	0.4704 (4)	0.0285 (7)
H17B	−0.349954	−0.247372	0.547849	0.034*
C18B	−0.24784 (11)	−0.13899 (9)	0.1368 (4)	0.0275 (7)
C19B	−0.26936 (13)	−0.13703 (11)	−0.0546 (4)	0.0323 (7)
H19D	−0.258944	−0.163124	−0.117511	0.049*
H19E	−0.253433	−0.112313	−0.114996	0.049*
H19F	−0.309428	−0.134416	−0.053168	0.049*
C20B	−0.18504 (12)	−0.14363 (11)	0.1334 (5)	0.0380 (8)
H20D	−0.171081	−0.144870	0.255105	0.057*
H20E	−0.168893	−0.119102	0.072159	0.057*
H20F	−0.175118	−0.169866	0.070640	0.057*
C21B	−0.26441 (12)	−0.09993 (10)	0.2446 (4)	0.0271 (7)
C22B	−0.25741 (12)	−0.05739 (10)	0.2038 (4)	0.0284 (7)
H22B	−0.238982	−0.049522	0.097769	0.034*
C23B	−0.27743 (12)	−0.02568 (10)	0.3183 (4)	0.0279 (7)
C24B	−0.30324 (13)	−0.03851 (10)	0.4764 (4)	0.0301 (7)
H24B	−0.316089	−0.017361	0.556401	0.036*
C25B	−0.31047 (12)	−0.08109 (10)	0.5188 (4)	0.0285 (7)
H25B	−0.327947	−0.089065	0.626340	0.034*
C26B	−0.29176 (12)	−0.11193 (10)	0.4015 (4)	0.0258 (7)
C27B	−0.27379 (12)	0.02014 (10)	0.2711 (4)	0.0272 (7)
C28B	−0.31326 (13)	0.04929 (10)	0.3280 (4)	0.0306 (7)
H28B	−0.343009	0.039637	0.398763	0.037*
C29B	−0.30998 (13)	0.09182 (10)	0.2835 (4)	0.0324 (7)
H29B	−0.337670	0.110823	0.323528	0.039*
C30B	−0.26673 (13)	0.10758 (10)	0.1807 (4)	0.0310 (7)
C31B	−0.22800 (13)	0.07856 (10)	0.1220 (4)	0.0338 (7)
H31B	−0.198554	0.088236	0.049920	0.041*
C32B	−0.23111 (12)	0.03591 (10)	0.1655 (4)	0.0330 (7)
H32B	−0.203775	0.016896	0.123047	0.040*
C33B	−0.26114 (14)	0.15412 (10)	0.1333 (6)	0.0442 (9)
H33C	−0.228895	0.165618	0.197226	0.053*
H33D	−0.253092	0.156058	0.004944	0.053*
C34B	−0.30816 (15)	0.18183 (11)	0.1713 (7)	0.0566 (12)
H34C	−0.315838	0.180282	0.299980	0.068*
H34D	−0.340555	0.170095	0.108916	0.068*
C35B	−0.30274 (15)	0.22799 (11)	0.1213 (6)	0.0489 (10)
H35C	−0.268123	0.238801	0.173246	0.059*
H35D	−0.298875	0.229583	−0.009153	0.059*
C36B	−0.34605 (19)	0.25652 (13)	0.1726 (9)	0.0866 (19)
H36C	−0.348006	0.256474	0.303703	0.104*
H36D	−0.381007	0.244449	0.128506	0.104*
C37B	−0.34323 (18)	0.30163 (12)	0.1135 (7)	0.0652 (13)
H37D	−0.350837	0.303196	−0.013930	0.098*
H37E	−0.306490	0.312968	0.137160	0.098*
H37F	−0.370518	0.318485	0.178220	0.098*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1A	0.077 (3)	0.040 (2)	0.112 (4)	0.002 (2)	0.011 (3)	−0.002 (3)
C2A	0.066 (3)	0.064 (3)	0.091 (4)	−0.002 (2)	0.006 (3)	−0.007 (3)
C3A	0.079 (3)	0.033 (2)	0.070 (3)	−0.007 (2)	−0.001 (3)	−0.006 (2)
C4A	0.078 (3)	0.042 (2)	0.066 (3)	−0.008 (2)	−0.008 (3)	−0.001 (2)
C5A	0.119 (4)	0.031 (2)	0.061 (3)	−0.001 (2)	−0.015 (3)	−0.001 (2)
C6A	0.079 (3)	0.0245 (18)	0.044 (2)	−0.0008 (17)	−0.006 (2)	0.0011 (17)
C7A	0.057 (2)	0.032 (2)	0.054 (2)	−0.0078 (17)	−0.016 (2)	−0.0018 (19)
C8A	0.0430 (19)	0.0295 (18)	0.048 (2)	0.0009 (14)	−0.0081 (17)	0.0016 (16)
C9A	0.0345 (17)	0.0250 (16)	0.0299 (17)	0.0019 (13)	−0.0030 (14)	0.0037 (14)
C10A	0.0445 (19)	0.0318 (18)	0.0369 (19)	0.0049 (15)	−0.0050 (16)	0.0030 (15)
C11A	0.060 (2)	0.0307 (19)	0.046 (2)	0.0134 (17)	−0.0003 (19)	0.0048 (17)
C12A	0.0249 (15)	0.0299 (17)	0.0282 (16)	0.0011 (12)	−0.0021 (13)	0.0035 (14)
C13A	0.0242 (14)	0.0273 (16)	0.0274 (16)	0.0013 (12)	−0.0032 (13)	0.0005 (13)
C14A	0.0212 (14)	0.0280 (16)	0.0236 (15)	0.0024 (11)	−0.0017 (12)	0.0023 (13)
C15A	0.0217 (14)	0.0255 (16)	0.0240 (15)	0.0007 (12)	0.0011 (12)	0.0012 (13)
C16A	0.0267 (15)	0.0315 (17)	0.0243 (15)	0.0016 (13)	−0.0049 (13)	0.0024 (13)
C17A	0.0277 (16)	0.0310 (17)	0.0306 (17)	0.0044 (13)	−0.0026 (14)	0.0048 (14)
C18A	0.0236 (14)	0.0255 (15)	0.0236 (15)	0.0009 (11)	−0.0035 (13)	−0.0014 (13)
C19A	0.0296 (16)	0.0285 (17)	0.0272 (16)	0.0016 (13)	−0.0046 (13)	−0.0016 (13)
C20A	0.0260 (15)	0.0347 (17)	0.0299 (17)	0.0034 (13)	−0.0079 (13)	0.0014 (15)
C21A	0.0192 (13)	0.0268 (16)	0.0230 (15)	0.0022 (11)	−0.0014 (12)	−0.0029 (13)
C22A	0.0256 (14)	0.0268 (16)	0.0243 (16)	0.0024 (12)	−0.0002 (13)	−0.0009 (13)
C23A	0.0225 (14)	0.0261 (16)	0.0255 (15)	0.0017 (12)	0.0009 (12)	−0.0041 (13)
C24A	0.0281 (16)	0.0274 (17)	0.0285 (17)	−0.0008 (12)	−0.0030 (13)	−0.0050 (14)
C25A	0.0241 (15)	0.0313 (17)	0.0240 (15)	0.0025 (12)	−0.0026 (12)	−0.0014 (13)
C26A	0.0203 (14)	0.0264 (16)	0.0217 (15)	0.0025 (12)	0.0007 (11)	0.0003 (13)
C27A	0.0252 (15)	0.0259 (16)	0.0246 (16)	0.0014 (12)	0.0000 (12)	−0.0048 (13)
C28A	0.0274 (15)	0.0268 (16)	0.0292 (17)	−0.0001 (12)	−0.0006 (13)	−0.0047 (13)
C29A	0.0303 (16)	0.0294 (17)	0.0289 (17)	0.0039 (12)	0.0006 (14)	−0.0033 (14)
C30A	0.0361 (17)	0.0264 (16)	0.0272 (16)	−0.0001 (13)	0.0099 (14)	−0.0023 (13)
C31A	0.0280 (15)	0.0291 (17)	0.0344 (18)	−0.0049 (12)	0.0027 (14)	−0.0048 (15)
C32A	0.0260 (16)	0.0329 (18)	0.0297 (16)	0.0007 (13)	−0.0020 (13)	−0.0021 (14)
C33A	0.0400 (19)	0.0284 (17)	0.043 (2)	−0.0029 (14)	0.0087 (16)	0.0041 (16)
C34A	0.049 (2)	0.0293 (18)	0.045 (2)	−0.0028 (15)	0.0123 (17)	0.0014 (16)
C35A	0.052 (2)	0.0292 (18)	0.041 (2)	−0.0017 (15)	0.0103 (17)	0.0025 (16)
C36A	0.047 (2)	0.034 (2)	0.064 (3)	−0.0025 (16)	0.004 (2)	−0.0055 (19)
C37A	0.063 (3)	0.035 (2)	0.067 (3)	0.0045 (18)	−0.005 (2)	−0.003 (2)
C1B	0.065 (3)	0.031 (2)	0.067 (3)	−0.0015 (17)	−0.013 (2)	0.001 (2)
C2B	0.063 (2)	0.036 (2)	0.047 (2)	−0.0008 (17)	0.001 (2)	−0.0031 (18)
C3B	0.051 (2)	0.0304 (18)	0.042 (2)	−0.0009 (15)	−0.0019 (18)	−0.0003 (16)
C4B	0.054 (2)	0.0320 (18)	0.0357 (19)	0.0036 (16)	−0.0033 (17)	−0.0046 (16)
C5B	0.080 (3)	0.030 (2)	0.046 (2)	0.0040 (19)	−0.010 (2)	−0.0054 (17)
C6B	0.063 (2)	0.0272 (18)	0.035 (2)	0.0047 (16)	−0.0056 (18)	−0.0012 (16)
C7B	0.050 (2)	0.0310 (18)	0.0389 (19)	−0.0057 (15)	0.0024 (17)	0.0008 (16)
C8B	0.0404 (19)	0.0282 (18)	0.0358 (19)	0.0041 (14)	0.0020 (16)	0.0004 (15)
C9B	0.0315 (16)	0.0269 (16)	0.0290 (16)	0.0062 (12)	−0.0065 (14)	0.0037 (14)
C10B	0.0327 (17)	0.0323 (18)	0.0386 (19)	0.0079 (13)	−0.0008 (15)	−0.0031 (15)
C11B	0.053 (2)	0.038 (2)	0.036 (2)	0.0183 (17)	−0.0008 (17)	−0.0056 (17)
C12B	0.0227 (14)	0.0294 (17)	0.0295 (16)	0.0058 (12)	−0.0040 (13)	−0.0011 (14)
C13B	0.0225 (14)	0.0334 (17)	0.0291 (17)	0.0056 (12)	0.0007 (13)	−0.0039 (14)
C14B	0.0219 (14)	0.0298 (17)	0.0297 (16)	0.0037 (12)	−0.0027 (13)	−0.0006 (14)
C15B	0.0224 (15)	0.0304 (17)	0.0239 (15)	0.0029 (12)	−0.0035 (12)	−0.0013 (13)
C16B	0.0259 (15)	0.0327 (18)	0.0267 (16)	0.0073 (13)	0.0002 (13)	−0.0008 (14)
C17B	0.0262 (15)	0.0294 (17)	0.0300 (17)	0.0046 (12)	−0.0003 (13)	0.0047 (14)
C18B	0.0231 (14)	0.0300 (16)	0.0293 (17)	0.0008 (12)	0.0031 (13)	−0.0031 (14)
C19B	0.0304 (17)	0.0388 (19)	0.0279 (17)	−0.0002 (14)	0.0021 (14)	−0.0028 (14)
C20B	0.0275 (16)	0.042 (2)	0.045 (2)	0.0013 (14)	0.0033 (15)	−0.0017 (17)
C21B	0.0230 (14)	0.0324 (17)	0.0257 (16)	−0.0002 (12)	−0.0020 (13)	−0.0023 (13)
C22B	0.0248 (15)	0.0327 (17)	0.0277 (16)	−0.0013 (12)	0.0029 (13)	−0.0034 (14)
C23B	0.0230 (15)	0.0305 (17)	0.0301 (16)	−0.0032 (12)	−0.0009 (13)	−0.0016 (14)
C24B	0.0332 (17)	0.0304 (18)	0.0268 (17)	0.0005 (13)	−0.0016 (14)	−0.0050 (14)
C25B	0.0295 (16)	0.0313 (18)	0.0248 (16)	−0.0003 (13)	0.0010 (13)	−0.0028 (13)
C26B	0.0218 (15)	0.0305 (17)	0.0251 (15)	0.0013 (12)	−0.0023 (12)	−0.0008 (14)
C27B	0.0257 (15)	0.0289 (17)	0.0272 (17)	−0.0033 (12)	−0.0025 (13)	−0.0034 (14)
C28B	0.0299 (16)	0.0311 (18)	0.0307 (16)	−0.0048 (13)	0.0075 (14)	−0.0003 (14)
C29B	0.0330 (17)	0.0313 (18)	0.0329 (19)	0.0013 (13)	0.0060 (14)	0.0015 (15)
C30B	0.0326 (16)	0.0310 (17)	0.0294 (17)	−0.0046 (13)	0.0025 (14)	0.0018 (14)
C31B	0.0301 (16)	0.0379 (19)	0.0335 (18)	−0.0048 (13)	0.0093 (14)	0.0005 (15)
C32B	0.0270 (15)	0.0359 (19)	0.0361 (19)	0.0001 (13)	0.0041 (14)	−0.0040 (15)
C33B	0.041 (2)	0.0346 (19)	0.057 (2)	−0.0036 (15)	0.0126 (18)	0.0107 (19)
C34B	0.043 (2)	0.032 (2)	0.095 (3)	0.0010 (16)	0.013 (2)	0.007 (2)
C35B	0.045 (2)	0.037 (2)	0.065 (3)	−0.0034 (16)	0.011 (2)	0.011 (2)
C36B	0.064 (3)	0.040 (2)	0.156 (5)	0.009 (2)	0.040 (4)	0.018 (3)
C37B	0.060 (3)	0.034 (2)	0.102 (4)	0.0039 (19)	0.004 (3)	0.009 (2)

Geometric parameters (Å, º)

C1A—C2A	1.487 (6)	C1B—C2B	1.518 (5)
C1A—H1AA	0.9800	C1B—H1BA	0.9800
C1A—H1AB	0.9800	C1B—H1BB	0.9800
C1A—H1AC	0.9800	C1B—H1BC	0.9800
C2A—C3A	1.453 (6)	C2B—C3B	1.492 (5)
C2A—H2AA	0.9900	C2B—H2BA	0.9900
C2A—H2AB	0.9900	C2B—H2BB	0.9900
C3A—C4A	1.525 (5)	C3B—C4B	1.526 (5)
C3A—H3AA	0.9900	C3B—H3BA	0.9900
C3A—H3AB	0.9900	C3B—H3BB	0.9900
C4A—C5A	1.430 (6)	C4B—C5B	1.510 (5)
C4A—H4AA	0.9900	C4B—H4BA	0.9900
C4A—H4AB	0.9900	C4B—H4BB	0.9900
C5A—C6A	1.528 (5)	C5B—C6B	1.509 (5)
C5A—H5AA	0.9900	C5B—H5BA	0.9900
C5A—H5AB	0.9900	C5B—H5BB	0.9900
C6A—C7A	1.385 (5)	C6B—C7B	1.387 (5)
C6A—C11A	1.390 (6)	C6B—C11B	1.396 (5)
C7A—C8A	1.382 (5)	C7B—C8B	1.379 (5)
C7A—H7A	0.9500	C7B—H7B	0.9500
C8A—C9A	1.400 (5)	C8B—C9B	1.395 (5)
C8A—H8A	0.9500	C8B—H8B	0.9500
C9A—C10A	1.398 (4)	C9B—C10B	1.400 (4)
C9A—C12A	1.485 (4)	C9B—C12B	1.490 (4)
C10A—C11A	1.389 (5)	C10B—C11B	1.385 (5)
C10A—H10A	0.9500	C10B—H10B	0.9500
C11A—H11A	0.9500	C11B—H11B	0.9500
C12A—C17A	1.394 (4)	C12B—C13B	1.393 (4)
C12A—C13A	1.412 (4)	C12B—C17B	1.407 (4)
C13A—C14A	1.383 (4)	C13B—C14B	1.389 (4)
C13A—H13A	0.9500	C13B—H13B	0.9500
C14A—C15A	1.407 (4)	C14B—C15B	1.401 (4)
C14A—C18A	1.525 (4)	C14B—C18B	1.525 (4)
C15A—C16A	1.389 (4)	C15B—C16B	1.393 (4)
C15A—C26A	1.470 (4)	C15B—C26B	1.472 (4)
C16A—C17A	1.387 (4)	C16B—C17B	1.388 (4)
C16A—H16A	0.9500	C16B—H16B	0.9500
C17A—H17A	0.9500	C17B—H17B	0.9500
C18A—C21A	1.528 (4)	C18B—C21B	1.525 (4)
C18A—C19A	1.538 (4)	C18B—C19B	1.537 (5)
C18A—C20A	1.540 (4)	C18B—C20B	1.538 (4)
C19A—H19A	0.9800	C19B—H19D	0.9800
C19A—H19B	0.9800	C19B—H19E	0.9800
C19A—H19C	0.9800	C19B—H19F	0.9800
C20A—H20A	0.9800	C20B—H20D	0.9800
C20A—H20B	0.9800	C20B—H20E	0.9800
C20A—H20C	0.9800	C20B—H20F	0.9800
C21A—C22A	1.382 (4)	C21B—C22B	1.381 (4)
C21A—C26A	1.406 (4)	C21B—C26B	1.409 (4)
C22A—C23A	1.408 (4)	C22B—C23B	1.405 (4)
C22A—H22A	0.9500	C22B—H22B	0.9500
C23A—C24A	1.403 (4)	C23B—C24B	1.407 (5)
C23A—C27A	1.484 (4)	C23B—C27B	1.484 (4)
C24A—C25A	1.388 (4)	C24B—C25B	1.385 (4)
C24A—H24A	0.9500	C24B—H24B	0.9500
C25A—C26A	1.391 (4)	C25B—C26B	1.388 (4)
C25A—H25A	0.9500	C25B—H25B	0.9500
C27A—C32A	1.389 (4)	C27B—C28B	1.395 (4)
C27A—C28A	1.409 (4)	C27B—C32B	1.400 (4)
C28A—C29A	1.384 (4)	C28B—C29B	1.378 (4)
C28A—H28A	0.9500	C28B—H28B	0.9500
C29A—C30A	1.390 (4)	C29B—C30B	1.399 (4)
C29A—H29A	0.9500	C29B—H29B	0.9500
C30A—C31A	1.394 (5)	C30B—C31B	1.385 (4)
C30A—C33A	1.516 (4)	C30B—C33B	1.510 (4)
C31A—C32A	1.388 (4)	C31B—C32B	1.380 (4)
C31A—H31A	0.9500	C31B—H31B	0.9500
C32A—H32A	0.9500	C32B—H32B	0.9500
C33A—C34A	1.514 (5)	C33B—C34B	1.467 (5)
C33A—H33A	0.9900	C33B—H33C	0.9900
C33A—H33B	0.9900	C33B—H33D	0.9900
C34A—C35A	1.526 (4)	C34B—C35B	1.503 (5)
C34A—H34A	0.9900	C34B—H34C	0.9900
C34A—H34B	0.9900	C34B—H34D	0.9900
C35A—C36A	1.504 (5)	C35B—C36B	1.437 (5)
C35A—H35A	0.9900	C35B—H35C	0.9900
C35A—H35B	0.9900	C35B—H35D	0.9900
C36A—C37A	1.510 (5)	C36B—C37B	1.486 (5)
C36A—H36A	0.9900	C36B—H36C	0.9900
C36A—H36B	0.9900	C36B—H36D	0.9900
C37A—H37A	0.9800	C37B—H37D	0.9800
C37A—H37B	0.9800	C37B—H37E	0.9800
C37A—H37C	0.9800	C37B—H37F	0.9800
C2A—C1A—H1AA	109.5	C2B—C1B—H1BA	109.5
C2A—C1A—H1AB	109.5	C2B—C1B—H1BB	109.5
H1AA—C1A—H1AB	109.5	H1BA—C1B—H1BB	109.5
C2A—C1A—H1AC	109.5	C2B—C1B—H1BC	109.5
H1AA—C1A—H1AC	109.5	H1BA—C1B—H1BC	109.5
H1AB—C1A—H1AC	109.5	H1BB—C1B—H1BC	109.5
C3A—C2A—C1A	115.4 (5)	C3B—C2B—C1B	112.6 (3)
C3A—C2A—H2AA	108.4	C3B—C2B—H2BA	109.1
C1A—C2A—H2AA	108.4	C1B—C2B—H2BA	109.1
C3A—C2A—H2AB	108.4	C3B—C2B—H2BB	109.1
C1A—C2A—H2AB	108.4	C1B—C2B—H2BB	109.1
H2AA—C2A—H2AB	107.5	H2BA—C2B—H2BB	107.8
C2A—C3A—C4A	117.8 (4)	C2B—C3B—C4B	115.6 (3)
C2A—C3A—H3AA	107.9	C2B—C3B—H3BA	108.4
C4A—C3A—H3AA	107.9	C4B—C3B—H3BA	108.4
C2A—C3A—H3AB	107.9	C2B—C3B—H3BB	108.4
C4A—C3A—H3AB	107.9	C4B—C3B—H3BB	108.4
H3AA—C3A—H3AB	107.2	H3BA—C3B—H3BB	107.4
C5A—C4A—C3A	115.4 (4)	C5B—C4B—C3B	112.3 (3)
C5A—C4A—H4AA	108.4	C5B—C4B—H4BA	109.1
C3A—C4A—H4AA	108.4	C3B—C4B—H4BA	109.1
C5A—C4A—H4AB	108.4	C5B—C4B—H4BB	109.1
C3A—C4A—H4AB	108.4	C3B—C4B—H4BB	109.1
H4AA—C4A—H4AB	107.5	H4BA—C4B—H4BB	107.9
C4A—C5A—C6A	119.6 (4)	C4B—C5B—C6B	116.6 (3)
C4A—C5A—H5AA	107.4	C4B—C5B—H5BA	108.1
C6A—C5A—H5AA	107.4	C6B—C5B—H5BA	108.1
C4A—C5A—H5AB	107.4	C4B—C5B—H5BB	108.1
C6A—C5A—H5AB	107.4	C6B—C5B—H5BB	108.1
H5AA—C5A—H5AB	107.0	H5BA—C5B—H5BB	107.3
C7A—C6A—C11A	117.2 (3)	C7B—C6B—C11B	117.3 (3)
C7A—C6A—C5A	118.4 (4)	C7B—C6B—C5B	121.1 (4)
C11A—C6A—C5A	124.3 (4)	C11B—C6B—C5B	121.6 (3)
C8A—C7A—C6A	121.6 (3)	C8B—C7B—C6B	121.7 (3)
C8A—C7A—H7A	119.2	C8B—C7B—H7B	119.1
C6A—C7A—H7A	119.2	C6B—C7B—H7B	119.1
C7A—C8A—C9A	121.5 (3)	C7B—C8B—C9B	121.3 (3)
C7A—C8A—H8A	119.3	C7B—C8B—H8B	119.3
C9A—C8A—H8A	119.3	C9B—C8B—H8B	119.3
C10A—C9A—C8A	117.1 (3)	C8B—C9B—C10B	117.2 (3)
C10A—C9A—C12A	121.9 (3)	C8B—C9B—C12B	121.6 (3)
C8A—C9A—C12A	121.0 (3)	C10B—C9B—C12B	121.3 (3)
C11A—C10A—C9A	120.6 (3)	C11B—C10B—C9B	121.1 (3)
C11A—C10A—H10A	119.7	C11B—C10B—H10B	119.4
C9A—C10A—H10A	119.7	C9B—C10B—H10B	119.4
C10A—C11A—C6A	122.0 (3)	C10B—C11B—C6B	121.3 (3)
C10A—C11A—H11A	119.0	C10B—C11B—H11B	119.4
C6A—C11A—H11A	119.0	C6B—C11B—H11B	119.4
C17A—C12A—C13A	118.6 (3)	C13B—C12B—C17B	119.4 (3)
C17A—C12A—C9A	121.3 (3)	C13B—C12B—C9B	120.5 (3)
C13A—C12A—C9A	120.0 (3)	C17B—C12B—C9B	120.0 (3)
C14A—C13A—C12A	119.8 (3)	C14B—C13B—C12B	119.6 (3)
C14A—C13A—H13A	120.1	C14B—C13B—H13B	120.2
C12A—C13A—H13A	120.1	C12B—C13B—H13B	120.2
C13A—C14A—C15A	120.6 (3)	C13B—C14B—C15B	120.7 (3)
C13A—C14A—C18A	128.2 (3)	C13B—C14B—C18B	128.1 (3)
C15A—C14A—C18A	111.1 (3)	C15B—C14B—C18B	111.1 (3)
C16A—C15A—C14A	119.8 (3)	C16B—C15B—C14B	120.0 (3)
C16A—C15A—C26A	131.7 (3)	C16B—C15B—C26B	131.3 (3)
C14A—C15A—C26A	108.3 (2)	C14B—C15B—C26B	108.5 (3)
C17A—C16A—C15A	119.3 (3)	C17B—C16B—C15B	119.2 (3)
C17A—C16A—H16A	120.3	C17B—C16B—H16B	120.4
C15A—C16A—H16A	120.3	C15B—C16B—H16B	120.4
C16A—C17A—C12A	121.8 (3)	C16B—C17B—C12B	121.0 (3)
C16A—C17A—H17A	119.1	C16B—C17B—H17B	119.5
C12A—C17A—H17A	119.1	C12B—C17B—H17B	119.5
C14A—C18A—C21A	101.0 (2)	C21B—C18B—C14B	101.0 (2)
C14A—C18A—C19A	111.5 (2)	C21B—C18B—C19B	112.2 (3)
C21A—C18A—C19A	111.4 (2)	C14B—C18B—C19B	112.5 (3)
C14A—C18A—C20A	112.1 (2)	C21B—C18B—C20B	110.4 (3)
C21A—C18A—C20A	110.9 (2)	C14B—C18B—C20B	111.4 (3)
C19A—C18A—C20A	109.6 (2)	C19B—C18B—C20B	109.1 (3)
C18A—C19A—H19A	109.5	C18B—C19B—H19D	109.5
C18A—C19A—H19B	109.5	C18B—C19B—H19E	109.5
H19A—C19A—H19B	109.5	H19D—C19B—H19E	109.5
C18A—C19A—H19C	109.5	C18B—C19B—H19F	109.5
H19A—C19A—H19C	109.5	H19D—C19B—H19F	109.5
H19B—C19A—H19C	109.5	H19E—C19B—H19F	109.5
C18A—C20A—H20A	109.5	C18B—C20B—H20D	109.5
C18A—C20A—H20B	109.5	C18B—C20B—H20E	109.5
H20A—C20A—H20B	109.5	H20D—C20B—H20E	109.5
C18A—C20A—H20C	109.5	C18B—C20B—H20F	109.5
H20A—C20A—H20C	109.5	H20D—C20B—H20F	109.5
H20B—C20A—H20C	109.5	H20E—C20B—H20F	109.5
C22A—C21A—C26A	120.6 (3)	C22B—C21B—C26B	120.3 (3)
C22A—C21A—C18A	128.4 (3)	C22B—C21B—C18B	128.7 (3)
C26A—C21A—C18A	111.0 (2)	C26B—C21B—C18B	111.0 (3)
C21A—C22A—C23A	120.2 (3)	C21B—C22B—C23B	120.3 (3)
C21A—C22A—H22A	119.9	C21B—C22B—H22B	119.8
C23A—C22A—H22A	119.9	C23B—C22B—H22B	119.8
C24A—C23A—C22A	118.3 (3)	C22B—C23B—C24B	118.3 (3)
C24A—C23A—C27A	120.9 (3)	C22B—C23B—C27B	121.2 (3)
C22A—C23A—C27A	120.8 (3)	C24B—C23B—C27B	120.5 (3)
C25A—C24A—C23A	121.8 (3)	C25B—C24B—C23B	121.9 (3)
C25A—C24A—H24A	119.1	C25B—C24B—H24B	119.1
C23A—C24A—H24A	119.1	C23B—C24B—H24B	119.1
C24A—C25A—C26A	119.2 (3)	C24B—C25B—C26B	118.9 (3)
C24A—C25A—H25A	120.4	C24B—C25B—H25B	120.5
C26A—C25A—H25A	120.4	C26B—C25B—H25B	120.5
C25A—C26A—C21A	119.9 (3)	C25B—C26B—C21B	120.3 (3)
C25A—C26A—C15A	131.6 (3)	C25B—C26B—C15B	131.5 (3)
C21A—C26A—C15A	108.4 (2)	C21B—C26B—C15B	108.1 (3)
C32A—C27A—C28A	117.6 (3)	C28B—C27B—C32B	117.1 (3)
C32A—C27A—C23A	121.7 (3)	C28B—C27B—C23B	121.3 (3)
C28A—C27A—C23A	120.7 (3)	C32B—C27B—C23B	121.6 (3)
C29A—C28A—C27A	120.5 (3)	C29B—C28B—C27B	121.3 (3)
C29A—C28A—H28A	119.7	C29B—C28B—H28B	119.3
C27A—C28A—H28A	119.7	C27B—C28B—H28B	119.3
C28A—C29A—C30A	121.8 (3)	C28B—C29B—C30B	121.4 (3)
C28A—C29A—H29A	119.1	C28B—C29B—H29B	119.3
C30A—C29A—H29A	119.1	C30B—C29B—H29B	119.3
C29A—C30A—C31A	117.5 (3)	C31B—C30B—C29B	117.3 (3)
C29A—C30A—C33A	120.1 (3)	C31B—C30B—C33B	119.9 (3)
C31A—C30A—C33A	122.4 (3)	C29B—C30B—C33B	122.8 (3)
C32A—C31A—C30A	121.2 (3)	C32B—C31B—C30B	121.6 (3)
C32A—C31A—H31A	119.4	C32B—C31B—H31B	119.2
C30A—C31A—H31A	119.4	C30B—C31B—H31B	119.2
C31A—C32A—C27A	121.4 (3)	C31B—C32B—C27B	121.3 (3)
C31A—C32A—H32A	119.3	C31B—C32B—H32B	119.4
C27A—C32A—H32A	119.3	C27B—C32B—H32B	119.4
C34A—C33A—C30A	114.3 (3)	C34B—C33B—C30B	117.2 (3)
C34A—C33A—H33A	108.7	C34B—C33B—H33C	108.0
C30A—C33A—H33A	108.7	C30B—C33B—H33C	108.0
C34A—C33A—H33B	108.7	C34B—C33B—H33D	108.0
C30A—C33A—H33B	108.7	C30B—C33B—H33D	108.0
H33A—C33A—H33B	107.6	H33C—C33B—H33D	107.2
C33A—C34A—C35A	114.2 (3)	C33B—C34B—C35B	117.0 (3)
C33A—C34A—H34A	108.7	C33B—C34B—H34C	108.0
C35A—C34A—H34A	108.7	C35B—C34B—H34C	108.0
C33A—C34A—H34B	108.7	C33B—C34B—H34D	108.0
C35A—C34A—H34B	108.7	C35B—C34B—H34D	108.0
H34A—C34A—H34B	107.6	H34C—C34B—H34D	107.3
C36A—C35A—C34A	113.1 (3)	C36B—C35B—C34B	117.9 (3)
C36A—C35A—H35A	109.0	C36B—C35B—H35C	107.8
C34A—C35A—H35A	109.0	C34B—C35B—H35C	107.8
C36A—C35A—H35B	109.0	C36B—C35B—H35D	107.8
C34A—C35A—H35B	109.0	C34B—C35B—H35D	107.8
H35A—C35A—H35B	107.8	H35C—C35B—H35D	107.2
C35A—C36A—C37A	114.6 (3)	C35B—C36B—C37B	118.6 (4)
C35A—C36A—H36A	108.6	C35B—C36B—H36C	107.7
C37A—C36A—H36A	108.6	C37B—C36B—H36C	107.7
C35A—C36A—H36B	108.6	C35B—C36B—H36D	107.7
C37A—C36A—H36B	108.6	C37B—C36B—H36D	107.7
H36A—C36A—H36B	107.6	H36C—C36B—H36D	107.1
C36A—C37A—H37A	109.5	C36B—C37B—H37D	109.5
C36A—C37A—H37B	109.5	C36B—C37B—H37E	109.5
H37A—C37A—H37B	109.5	H37D—C37B—H37E	109.5
C36A—C37A—H37C	109.5	C36B—C37B—H37F	109.5
H37A—C37A—H37C	109.5	H37D—C37B—H37F	109.5
H37B—C37A—H37C	109.5	H37E—C37B—H37F	109.5
C1A—C2A—C3A—C4A	174.6 (4)	C1B—C2B—C3B—C4B	−179.8 (3)
C2A—C3A—C4A—C5A	176.5 (5)	C2B—C3B—C4B—C5B	178.7 (4)
C3A—C4A—C5A—C6A	176.6 (4)	C3B—C4B—C5B—C6B	178.9 (3)
C4A—C5A—C6A—C7A	−144.7 (5)	C4B—C5B—C6B—C7B	−90.1 (5)
C4A—C5A—C6A—C11A	38.6 (7)	C4B—C5B—C6B—C11B	91.2 (5)
C11A—C6A—C7A—C8A	0.9 (6)	C11B—C6B—C7B—C8B	1.5 (5)
C5A—C6A—C7A—C8A	−176.1 (4)	C5B—C6B—C7B—C8B	−177.3 (3)
C6A—C7A—C8A—C9A	0.3 (6)	C6B—C7B—C8B—C9B	0.8 (6)
C7A—C8A—C9A—C10A	−2.0 (5)	C7B—C8B—C9B—C10B	−2.1 (5)
C7A—C8A—C9A—C12A	177.4 (3)	C7B—C8B—C9B—C12B	176.1 (3)
C8A—C9A—C10A—C11A	2.5 (5)	C8B—C9B—C10B—C11B	1.0 (5)
C12A—C9A—C10A—C11A	−176.8 (3)	C12B—C9B—C10B—C11B	−177.2 (3)
C9A—C10A—C11A—C6A	−1.4 (6)	C9B—C10B—C11B—C6B	1.3 (5)
C7A—C6A—C11A—C10A	−0.3 (6)	C7B—C6B—C11B—C10B	−2.5 (5)
C5A—C6A—C11A—C10A	176.4 (4)	C5B—C6B—C11B—C10B	176.3 (3)
C10A—C9A—C12A—C17A	−37.6 (5)	C8B—C9B—C12B—C13B	−144.6 (3)
C8A—C9A—C12A—C17A	143.1 (3)	C10B—C9B—C12B—C13B	33.6 (4)
C10A—C9A—C12A—C13A	140.5 (3)	C8B—C9B—C12B—C17B	32.9 (4)
C8A—C9A—C12A—C13A	−38.8 (4)	C10B—C9B—C12B—C17B	−149.0 (3)
C17A—C12A—C13A—C14A	1.4 (4)	C17B—C12B—C13B—C14B	−1.5 (4)
C9A—C12A—C13A—C14A	−176.7 (3)	C9B—C12B—C13B—C14B	176.0 (3)
C12A—C13A—C14A—C15A	−0.9 (4)	C12B—C13B—C14B—C15B	0.3 (4)
C12A—C13A—C14A—C18A	175.6 (3)	C12B—C13B—C14B—C18B	−176.2 (3)
C13A—C14A—C15A—C16A	−0.6 (4)	C13B—C14B—C15B—C16B	1.3 (4)
C18A—C14A—C15A—C16A	−177.7 (3)	C18B—C14B—C15B—C16B	178.3 (3)
C13A—C14A—C15A—C26A	175.3 (3)	C13B—C14B—C15B—C26B	−173.8 (3)
C18A—C14A—C15A—C26A	−1.8 (3)	C18B—C14B—C15B—C26B	3.2 (3)
C14A—C15A—C16A—C17A	1.5 (4)	C14B—C15B—C16B—C17B	−1.5 (4)
C26A—C15A—C16A—C17A	−173.1 (3)	C26B—C15B—C16B—C17B	172.3 (3)
C15A—C16A—C17A—C12A	−1.1 (5)	C15B—C16B—C17B—C12B	0.3 (4)
C13A—C12A—C17A—C16A	−0.4 (5)	C13B—C12B—C17B—C16B	1.3 (4)
C9A—C12A—C17A—C16A	177.7 (3)	C9B—C12B—C17B—C16B	−176.3 (3)
C13A—C14A—C18A—C21A	−173.4 (3)	C13B—C14B—C18B—C21B	171.6 (3)
C15A—C14A—C18A—C21A	3.4 (3)	C15B—C14B—C18B—C21B	−5.2 (3)
C13A—C14A—C18A—C19A	−55.0 (4)	C13B—C14B—C18B—C19B	51.7 (4)
C15A—C14A—C18A—C19A	121.9 (3)	C15B—C14B—C18B—C19B	−125.0 (3)
C13A—C14A—C18A—C20A	68.4 (4)	C13B—C14B—C18B—C20B	−71.2 (4)
C15A—C14A—C18A—C20A	−114.8 (3)	C15B—C14B—C18B—C20B	112.1 (3)
C14A—C18A—C21A—C22A	173.9 (3)	C14B—C18B—C21B—C22B	−172.3 (3)
C19A—C18A—C21A—C22A	55.3 (4)	C19B—C18B—C21B—C22B	−52.2 (4)
C20A—C18A—C21A—C22A	−67.1 (4)	C20B—C18B—C21B—C22B	69.7 (4)
C14A—C18A—C21A—C26A	−3.9 (3)	C14B—C18B—C21B—C26B	5.4 (3)
C19A—C18A—C21A—C26A	−122.4 (3)	C19B—C18B—C21B—C26B	125.5 (3)
C20A—C18A—C21A—C26A	115.1 (3)	C20B—C18B—C21B—C26B	−112.5 (3)
C26A—C21A—C22A—C23A	0.6 (4)	C26B—C21B—C22B—C23B	0.1 (4)
C18A—C21A—C22A—C23A	−177.0 (3)	C18B—C21B—C22B—C23B	177.7 (3)
C21A—C22A—C23A—C24A	−2.3 (4)	C21B—C22B—C23B—C24B	1.6 (4)
C21A—C22A—C23A—C27A	175.8 (3)	C21B—C22B—C23B—C27B	−175.7 (3)
C22A—C23A—C24A—C25A	2.0 (4)	C22B—C23B—C24B—C25B	−1.6 (4)
C27A—C23A—C24A—C25A	−176.0 (3)	C27B—C23B—C24B—C25B	175.7 (3)
C23A—C24A—C25A—C26A	0.0 (4)	C23B—C24B—C25B—C26B	−0.1 (5)
C24A—C25A—C26A—C21A	−1.7 (4)	C24B—C25B—C26B—C21B	1.9 (4)
C24A—C25A—C26A—C15A	173.7 (3)	C24B—C25B—C26B—C15B	−173.0 (3)
C22A—C21A—C26A—C25A	1.4 (4)	C22B—C21B—C26B—C25B	−1.9 (4)
C18A—C21A—C26A—C25A	179.4 (3)	C18B—C21B—C26B—C25B	−179.9 (3)
C22A—C21A—C26A—C15A	−174.9 (3)	C22B—C21B—C26B—C15B	174.1 (3)
C18A—C21A—C26A—C15A	3.0 (3)	C18B—C21B—C26B—C15B	−3.9 (3)
C16A—C15A—C26A—C25A	−1.4 (5)	C16B—C15B—C26B—C25B	1.4 (6)
C14A—C15A—C26A—C25A	−176.6 (3)	C14B—C15B—C26B—C25B	175.8 (3)
C16A—C15A—C26A—C21A	174.4 (3)	C16B—C15B—C26B—C21B	−173.9 (3)
C14A—C15A—C26A—C21A	−0.7 (3)	C14B—C15B—C26B—C21B	0.4 (3)
C24A—C23A—C27A—C32A	32.4 (4)	C22B—C23B—C27B—C28B	148.6 (3)
C22A—C23A—C27A—C32A	−145.7 (3)	C24B—C23B—C27B—C28B	−28.7 (4)
C24A—C23A—C27A—C28A	−149.2 (3)	C22B—C23B—C27B—C32B	−30.5 (4)
C22A—C23A—C27A—C28A	32.8 (4)	C24B—C23B—C27B—C32B	152.2 (3)
C32A—C27A—C28A—C29A	−0.1 (4)	C32B—C27B—C28B—C29B	−0.7 (5)
C23A—C27A—C28A—C29A	−178.6 (3)	C23B—C27B—C28B—C29B	−179.8 (3)
C27A—C28A—C29A—C30A	0.7 (5)	C27B—C28B—C29B—C30B	−0.5 (5)
C28A—C29A—C30A—C31A	−1.0 (5)	C28B—C29B—C30B—C31B	1.4 (5)
C28A—C29A—C30A—C33A	179.9 (3)	C28B—C29B—C30B—C33B	−178.5 (3)
C29A—C30A—C31A—C32A	0.6 (5)	C29B—C30B—C31B—C32B	−1.2 (5)
C33A—C30A—C31A—C32A	179.7 (3)	C33B—C30B—C31B—C32B	178.7 (3)
C30A—C31A—C32A—C27A	0.1 (5)	C30B—C31B—C32B—C27B	0.1 (5)
C28A—C27A—C32A—C31A	−0.3 (5)	C28B—C27B—C32B—C31B	0.9 (5)
C23A—C27A—C32A—C31A	178.2 (3)	C23B—C27B—C32B—C31B	179.9 (3)
C29A—C30A—C33A—C34A	65.9 (4)	C31B—C30B—C33B—C34B	169.2 (4)
C31A—C30A—C33A—C34A	−113.2 (4)	C29B—C30B—C33B—C34B	−10.9 (6)
C30A—C33A—C34A—C35A	−176.2 (3)	C30B—C33B—C34B—C35B	−179.1 (4)
C33A—C34A—C35A—C36A	−179.7 (3)	C33B—C34B—C35B—C36B	−174.1 (5)
C34A—C35A—C36A—C37A	−180.0 (3)	C34B—C35B—C36B—C37B	−175.8 (5)