Diethyl 2-(3,4-dicyano­phen­yl)-2-[(2-naphth­yl)meth­yl]malonate

The asymmetric unit of the title compound, C₂₆H₂₂N₂O₄, contains two crystallographically independent mol­ecules. The crystal structure is stabilized by intra- and inter­molecular C—H...O inter­actions.

Key indicators

• Single-crystal X-ray study
• T = 273 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.053
• wR factor = 0.118
• Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.68 mm
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.60 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C16A   -   C20A    ..       5.34 su
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C15A   -   C19A   ...       1.44 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C16A   -   C20A   ...       1.45 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C16B   -   C19B   ...       1.44 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C17B   -   C20B   ...       1.45 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         14

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           30.07
           From the CIF: _reflns_number_total               6881
           Count of symmetry unique reflns         6940
           Completeness (_total/calc)             99.15%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present         no

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  10 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Diethyl 2-(3,4-dicyanophenyl)-2-[(2-naphthyl)methyl]malonate

Crystal data

C26H22N2O4	F(000) = 1792
Mr = 426.46	Dx = 1.223 Mg m^−3
Orthorhombic, Pna21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2n	Cell parameters from 6578 reflections
a = 15.3760 (3) Å	θ = 2.2–30.0°
b = 11.5504 (2) Å	µ = 0.08 mm^−1
c = 26.0798 (5) Å	T = 273 K
V = 4631.75 (15) Å^3	Needle, colorless
Z = 8	0.68 × 0.24 × 0.19 mm

Data collection

Siemens SMART CCD area-detector diffractometer	6881 independent reflections
Radiation source: sealed tube	3609 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.059
φ and ω scans	θmax = 30.1°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −21→21
Tmin = 0.946, Tmax = 0.984	k = −15→16
54546 measured reflections	l = −36→29

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)] = 0.053	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.118	H-atom parameters constrained
S = 1.01	w = 1/[σ^2(Fo^2) + (0.0512P)^2] where P = (Fo^2 + 2Fc^2)/3
6881 reflections	(Δ/σ)max < 0.001
577 parameters	Δρmax = 0.10 e Å^−3
1 restraint	Δρmin = −0.13 e Å^−3

Special details

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F² for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > σ(F²) is used only for calculating -R-factor-obs 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	0.25157 (14)	0.64579 (16)	0.20265 (8)	0.0653 (7)
O2A	0.14042 (16)	0.64725 (19)	0.14767 (10)	0.0820 (9)
O3A	0.10275 (14)	0.62465 (18)	0.27534 (8)	0.0686 (8)
O4A	0.19196 (18)	0.48526 (18)	0.30235 (9)	0.0771 (9)
N1A	0.2538 (2)	0.0130 (3)	0.26678 (14)	0.0971 (15)
N2A	0.3754 (2)	0.0182 (3)	0.12829 (13)	0.0867 (12)
C1A	0.0212 (2)	0.2458 (2)	0.20086 (14)	0.0534 (11)
C2A	0.0548 (2)	0.2222 (3)	0.15174 (13)	0.0649 (11)
C3A	0.0582 (3)	0.1124 (3)	0.13301 (16)	0.0870 (16)
C4A	0.0294 (3)	0.0194 (4)	0.1619 (2)	0.1053 (18)
C5A	−0.0046 (3)	0.0381 (3)	0.20889 (19)	0.1030 (18)
C6A	−0.0115 (3)	0.1515 (3)	0.23020 (15)	0.0723 (14)
C7A	−0.0488 (3)	0.1717 (4)	0.27874 (16)	0.0937 (19)
C8A	−0.0533 (3)	0.2801 (4)	0.29754 (16)	0.0913 (16)
C9A	−0.0200 (2)	0.3733 (3)	0.26997 (13)	0.0690 (12)
C10A	0.0178 (2)	0.3597 (3)	0.22276 (12)	0.0529 (10)
C11A	0.05530 (18)	0.4644 (2)	0.19581 (12)	0.0544 (10)
C12A	0.14990 (18)	0.4958 (2)	0.21234 (11)	0.0512 (10)
C13A	0.21108 (17)	0.3966 (2)	0.19912 (11)	0.0486 (9)
C14A	0.21507 (19)	0.2968 (3)	0.22968 (12)	0.0512 (10)
C15A	0.25887 (19)	0.1996 (2)	0.21264 (12)	0.0528 (10)
C16A	0.30176 (18)	0.2013 (2)	0.16529 (12)	0.0543 (10)
C17A	0.3003 (2)	0.3001 (3)	0.13631 (14)	0.0657 (12)
C18A	0.2554 (2)	0.3963 (3)	0.15294 (11)	0.0592 (11)
C19A	0.2567 (2)	0.0956 (3)	0.24309 (13)	0.0640 (11)
C20A	0.3434 (2)	0.0978 (3)	0.14555 (13)	0.0644 (11)
C21A	0.15207 (19)	0.5307 (2)	0.26868 (12)	0.0536 (10)
C22A	0.1021 (3)	0.6794 (4)	0.32577 (15)	0.0790 (16)
C23A	0.0812 (4)	0.8033 (4)	0.3177 (2)	0.108 (2)
C24A	0.1780 (2)	0.6052 (2)	0.18269 (13)	0.0577 (11)
C25A	0.2878 (3)	0.7501 (3)	0.1802 (2)	0.0827 (18)
C26A	0.3730 (3)	0.7707 (4)	0.2044 (2)	0.105 (2)
O1B	0.50005 (15)	−0.14475 (16)	0.48444 (9)	0.0680 (8)
O2B	0.38768 (17)	−0.1510 (2)	0.53912 (10)	0.0856 (10)
O3B	0.35038 (15)	−0.12666 (19)	0.41143 (9)	0.0729 (8)
O4B	0.44057 (16)	0.01287 (18)	0.38541 (9)	0.0753 (9)
N1B	0.6180 (2)	0.4835 (3)	0.55776 (13)	0.0843 (12)
N2B	0.4958 (3)	0.4859 (3)	0.41972 (16)	0.1006 (15)
C1B	0.2582 (2)	0.2434 (3)	0.48238 (16)	0.0630 (14)
C2B	0.2918 (2)	0.2728 (3)	0.53142 (16)	0.0733 (14)
C3B	0.2915 (3)	0.3841 (3)	0.54866 (18)	0.0997 (19)
C4B	0.2575 (4)	0.4727 (4)	0.5182 (2)	0.123 (3)
C5B	0.2243 (4)	0.4489 (4)	0.4716 (2)	0.116 (2)
C6B	0.2224 (3)	0.3339 (3)	0.45247 (15)	0.0810 (17)
C7B	0.1859 (3)	0.3071 (5)	0.40457 (19)	0.1020 (19)
C8B	0.1841 (3)	0.1974 (5)	0.38618 (17)	0.0970 (19)
C9B	0.2217 (2)	0.1086 (3)	0.41579 (14)	0.0750 (12)
C10B	0.2589 (2)	0.1285 (3)	0.46262 (14)	0.0580 (11)
C11B	0.30009 (19)	0.0283 (3)	0.49137 (13)	0.0575 (11)
C12B	0.39565 (17)	0.0019 (2)	0.47510 (10)	0.0482 (9)
C13B	0.45368 (17)	0.1030 (2)	0.48855 (10)	0.0474 (9)
C14B	0.4980 (2)	0.1043 (3)	0.53497 (12)	0.0596 (11)
C15B	0.5420 (2)	0.2006 (3)	0.55152 (12)	0.0637 (12)
C16B	0.54199 (19)	0.3013 (3)	0.52218 (13)	0.0573 (11)
C17B	0.49926 (19)	0.3006 (2)	0.47497 (11)	0.0520 (10)
C18B	0.45674 (18)	0.2020 (2)	0.45812 (11)	0.0500 (10)
C19B	0.5849 (2)	0.4026 (3)	0.54166 (13)	0.0660 (12)
C20B	0.4980 (2)	0.4043 (3)	0.44384 (14)	0.0667 (11)
C21B	0.4254 (2)	−0.1070 (3)	0.50418 (13)	0.0577 (11)
C22B	0.5373 (3)	−0.2489 (3)	0.5068 (2)	0.0883 (19)
C23B	0.6211 (3)	−0.2697 (4)	0.4808 (2)	0.112 (2)
C24B	0.3995 (2)	−0.0327 (2)	0.41823 (12)	0.0542 (10)
C25B	0.3470 (3)	−0.1794 (3)	0.36084 (16)	0.0863 (16)
C26B	0.3430 (4)	−0.3057 (4)	0.3672 (2)	0.117 (2)
H2AA	0.07510	0.28300	0.13170	0.0780*
H3AA	0.08030	0.09960	0.10030	0.1050*
H4AA	0.03330	−0.05540	0.14890	0.1260*
H5AA	−0.02410	−0.02490	0.22790	0.1240*
H7AA	−0.07040	0.11000	0.29780	0.1120*
H8AA	−0.07890	0.29280	0.32930	0.1090*
H11A	0.01790	0.53040	0.20240	0.0650*
H11B	0.05470	0.45020	0.15910	0.0650*
H9AA	−0.02350	0.44710	0.28400	0.0830*
H14A	0.18810	0.29610	0.26160	0.0610*
H17A	0.32990	0.30230	0.10520	0.0790*
H18A	0.25480	0.46250	0.13270	0.0710*
H22A	0.15850	0.67150	0.34200	0.0950*
H22B	0.05870	0.64340	0.34760	0.0950*
H23A	0.08000	0.84240	0.35020	0.1620*
H23B	0.02530	0.80990	0.30150	0.1620*
H23C	0.12470	0.83790	0.29620	0.1620*
H25A	0.24940	0.81530	0.18640	0.0990*
H25B	0.29460	0.74050	0.14350	0.0990*
H26A	0.39900	0.83870	0.18970	0.1570*
H26B	0.41010	0.70520	0.19850	0.1570*
H26C	0.36540	0.78180	0.24060	0.1570*
H2BA	0.31440	0.21470	0.55220	0.0880*
H3BA	0.31410	0.40120	0.58090	0.1190*
H4BA	0.25790	0.54860	0.53010	0.1480*
H5BA	0.20220	0.50880	0.45170	0.1390*
H7BA	0.16240	0.36650	0.38490	0.1220*
H11C	0.26520	−0.04060	0.48590	0.0690*
H11D	0.29910	0.04540	0.52780	0.0690*
H8BA	0.15850	0.18110	0.35470	0.1170*
H9BA	0.22140	0.03340	0.40300	0.0900*
H14B	0.49780	0.03820	0.55530	0.0710*
H15A	0.57190	0.19870	0.58250	0.0760*
H18B	0.43000	0.20180	0.42610	0.0600*
H22C	0.49860	−0.31420	0.50180	0.1060*
H22D	0.54640	−0.23830	0.54340	0.1060*
H23D	0.64760	−0.33820	0.49450	0.1680*
H23E	0.65890	−0.20460	0.48610	0.1680*
H23F	0.61120	−0.27980	0.44470	0.1680*
H25C	0.39830	−0.15840	0.34130	0.1030*
H25D	0.29610	−0.15240	0.34240	0.1030*
H26D	0.34040	−0.34200	0.33420	0.1750*
H26E	0.29210	−0.32580	0.38660	0.1750*
H26F	0.39390	−0.33180	0.38510	0.1750*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O1A	0.0732 (14)	0.0500 (11)	0.0726 (13)	−0.0095 (10)	−0.0036 (12)	0.0173 (10)
O2A	0.0902 (17)	0.0724 (15)	0.0833 (17)	−0.0055 (13)	−0.0197 (14)	0.0342 (13)
O3A	0.0728 (14)	0.0635 (13)	0.0695 (14)	0.0151 (11)	−0.0007 (12)	−0.0105 (11)
O4A	0.1080 (19)	0.0682 (14)	0.0551 (13)	0.0169 (13)	−0.0092 (13)	0.0043 (11)
N1A	0.121 (3)	0.0664 (19)	0.104 (3)	0.0136 (19)	0.008 (2)	0.027 (2)
N2A	0.090 (2)	0.080 (2)	0.090 (2)	0.0251 (17)	−0.0011 (18)	−0.0214 (18)
C1A	0.0563 (19)	0.054 (2)	0.050 (2)	−0.0044 (13)	−0.0076 (17)	0.0039 (13)
C2A	0.070 (2)	0.075 (2)	0.0498 (19)	−0.0051 (18)	−0.0019 (16)	−0.0031 (17)
C3A	0.104 (3)	0.082 (3)	0.075 (2)	0.002 (2)	−0.007 (2)	−0.029 (2)
C4A	0.152 (4)	0.064 (2)	0.100 (3)	−0.008 (2)	−0.021 (3)	−0.021 (2)
C5A	0.156 (4)	0.063 (2)	0.090 (3)	−0.027 (2)	−0.018 (3)	0.009 (2)
C6A	0.091 (3)	0.064 (2)	0.062 (2)	−0.0156 (18)	−0.012 (2)	0.0045 (17)
C7A	0.123 (4)	0.093 (3)	0.065 (3)	−0.035 (3)	0.003 (2)	0.017 (2)
C8A	0.113 (3)	0.106 (3)	0.055 (2)	−0.029 (3)	0.017 (2)	−0.012 (2)
C9A	0.070 (2)	0.073 (2)	0.064 (2)	−0.0079 (17)	0.0063 (18)	−0.0102 (17)
C10A	0.0459 (16)	0.0587 (18)	0.0542 (18)	−0.0019 (13)	−0.0014 (15)	0.0002 (14)
C11A	0.0531 (18)	0.0504 (15)	0.0596 (18)	0.0047 (13)	−0.0051 (15)	0.0038 (14)
C12A	0.0576 (18)	0.0458 (15)	0.0503 (17)	0.0045 (13)	−0.0014 (14)	0.0067 (13)
C13A	0.0486 (17)	0.0430 (14)	0.0542 (17)	0.0034 (12)	−0.0008 (14)	0.0038 (13)
C14A	0.0524 (17)	0.0512 (18)	0.0501 (17)	0.0041 (14)	0.0032 (14)	0.0091 (14)
C15A	0.0532 (17)	0.0458 (16)	0.0593 (18)	0.0016 (13)	−0.0030 (15)	0.0059 (14)
C16A	0.0512 (17)	0.0539 (18)	0.0577 (19)	0.0077 (14)	0.0008 (15)	−0.0034 (15)
C17A	0.068 (2)	0.066 (2)	0.063 (2)	0.0113 (17)	0.0139 (17)	0.0014 (17)
C18A	0.066 (2)	0.0577 (17)	0.0539 (18)	0.0046 (15)	0.0097 (16)	0.0136 (14)
C19A	0.069 (2)	0.0500 (17)	0.073 (2)	0.0083 (15)	0.0004 (18)	0.0043 (16)
C20A	0.0572 (19)	0.068 (2)	0.068 (2)	0.0066 (16)	−0.0050 (17)	−0.0038 (17)
C21A	0.0545 (18)	0.0473 (16)	0.059 (2)	−0.0014 (14)	0.0024 (16)	0.0065 (15)
C22A	0.086 (3)	0.081 (3)	0.070 (2)	0.003 (2)	0.003 (2)	−0.023 (2)
C23A	0.142 (4)	0.073 (3)	0.109 (4)	0.004 (3)	0.012 (3)	−0.023 (3)
C24A	0.068 (2)	0.0468 (16)	0.0582 (19)	0.0032 (15)	0.0008 (16)	0.0111 (14)
C25A	0.094 (3)	0.050 (2)	0.104 (4)	−0.0154 (17)	0.005 (3)	0.0196 (18)
C26A	0.102 (3)	0.077 (2)	0.136 (5)	−0.027 (2)	−0.026 (3)	0.020 (3)
O1B	0.0722 (14)	0.0530 (11)	0.0787 (15)	0.0134 (11)	0.0071 (12)	0.0192 (11)
O2B	0.0925 (18)	0.0815 (16)	0.0829 (17)	0.0069 (13)	0.0176 (14)	0.0421 (14)
O3B	0.0875 (16)	0.0613 (13)	0.0698 (15)	−0.0187 (11)	−0.0023 (13)	0.0007 (11)
O4B	0.1010 (18)	0.0661 (14)	0.0587 (13)	−0.0141 (13)	0.0201 (13)	0.0037 (11)
N1B	0.086 (2)	0.083 (2)	0.084 (2)	−0.0150 (17)	0.0106 (18)	−0.0243 (18)
N2B	0.116 (3)	0.0619 (17)	0.124 (3)	−0.0072 (17)	−0.008 (2)	0.036 (2)
C1B	0.056 (2)	0.070 (2)	0.063 (3)	0.0057 (15)	0.0204 (19)	0.0155 (16)
C2B	0.073 (2)	0.069 (2)	0.078 (3)	0.0046 (18)	0.019 (2)	0.005 (2)
C3B	0.117 (4)	0.088 (3)	0.094 (3)	0.010 (2)	0.018 (3)	−0.010 (2)
C4B	0.160 (5)	0.075 (3)	0.135 (5)	0.012 (3)	0.032 (4)	−0.001 (3)
C5B	0.157 (5)	0.074 (3)	0.118 (4)	0.034 (3)	0.038 (4)	0.028 (3)
C6B	0.086 (3)	0.084 (3)	0.073 (3)	0.025 (2)	0.019 (2)	0.031 (2)
C7B	0.107 (3)	0.116 (4)	0.083 (3)	0.044 (3)	0.016 (3)	0.043 (3)
C8B	0.088 (3)	0.136 (4)	0.067 (3)	0.034 (3)	−0.002 (2)	0.019 (3)
C9B	0.066 (2)	0.095 (2)	0.064 (2)	0.0121 (19)	−0.0004 (19)	0.0093 (19)
C10B	0.0507 (18)	0.068 (2)	0.0552 (19)	0.0010 (15)	0.0090 (16)	0.0148 (16)
C11B	0.0522 (19)	0.0568 (17)	0.0634 (19)	−0.0027 (14)	0.0088 (15)	0.0142 (15)
C12B	0.0486 (17)	0.0467 (14)	0.0492 (16)	−0.0025 (12)	−0.0016 (13)	0.0126 (13)
C13B	0.0460 (15)	0.0490 (15)	0.0471 (16)	0.0036 (13)	0.0002 (13)	0.0067 (13)
C14B	0.065 (2)	0.0533 (16)	0.0605 (19)	−0.0025 (15)	−0.0035 (16)	0.0161 (15)
C15B	0.066 (2)	0.071 (2)	0.054 (2)	−0.0012 (17)	−0.0112 (17)	0.0081 (17)
C16B	0.0511 (18)	0.0568 (19)	0.064 (2)	−0.0003 (15)	0.0058 (16)	−0.0027 (16)
C17B	0.0509 (17)	0.0522 (18)	0.0530 (18)	−0.0026 (14)	0.0038 (15)	0.0056 (15)
C18B	0.0487 (17)	0.0531 (18)	0.0483 (16)	−0.0009 (14)	0.0001 (14)	0.0088 (14)
C19B	0.062 (2)	0.071 (2)	0.065 (2)	−0.0025 (17)	0.0023 (18)	−0.0121 (17)
C20B	0.073 (2)	0.0531 (18)	0.074 (2)	−0.0077 (16)	−0.0001 (18)	0.0091 (17)
C21B	0.059 (2)	0.0522 (17)	0.062 (2)	−0.0029 (15)	−0.0018 (17)	0.0111 (15)
C22B	0.098 (3)	0.065 (3)	0.102 (4)	0.024 (2)	0.001 (3)	0.028 (2)
C23B	0.097 (3)	0.080 (3)	0.159 (5)	0.034 (2)	0.007 (3)	0.029 (3)
C24B	0.0588 (18)	0.0470 (15)	0.0567 (19)	0.0015 (14)	−0.0023 (16)	0.0062 (14)
C25B	0.102 (3)	0.074 (2)	0.083 (3)	−0.005 (2)	−0.016 (2)	−0.017 (2)
C26B	0.140 (4)	0.078 (3)	0.132 (5)	−0.001 (3)	−0.021 (3)	−0.020 (3)

Geometric parameters (Å, º)

O1A—C24A	1.331 (4)	C23A—H23B	0.9600
O1A—C25A	1.451 (4)	C23A—H23C	0.9600
O2A—C24A	1.185 (4)	C23A—H23A	0.9600
O3A—C21A	1.335 (3)	C25A—H25A	0.9700
O3A—C22A	1.459 (5)	C25A—H25B	0.9700
O4A—C21A	1.193 (4)	C26A—H26B	0.9600
O1B—C21B	1.331 (4)	C26A—H26C	0.9600
O1B—C22B	1.454 (4)	C26A—H26A	0.9600
O2B—C21B	1.194 (4)	C1B—C2B	1.421 (6)
O3B—C24B	1.334 (3)	C1B—C6B	1.416 (5)
O3B—C25B	1.454 (5)	C1B—C10B	1.424 (5)
O4B—C24B	1.187 (4)	C2B—C3B	1.362 (5)
N1A—C19A	1.138 (5)	C3B—C4B	1.397 (6)
N2A—C20A	1.136 (5)	C4B—C5B	1.347 (8)
N1B—C19B	1.144 (5)	C5B—C6B	1.419 (6)
N2B—C20B	1.134 (5)	C6B—C7B	1.404 (6)
C1A—C2A	1.408 (5)	C7B—C8B	1.355 (8)
C1A—C6A	1.423 (5)	C8B—C9B	1.408 (6)
C1A—C10A	1.435 (4)	C9B—C10B	1.368 (5)
C2A—C3A	1.360 (5)	C10B—C11B	1.518 (5)
C3A—C4A	1.385 (6)	C11B—C12B	1.560 (4)
C4A—C5A	1.350 (7)	C12B—C13B	1.511 (3)
C5A—C6A	1.427 (5)	C12B—C21B	1.538 (4)
C6A—C7A	1.409 (6)	C12B—C24B	1.537 (4)
C7A—C8A	1.346 (6)	C13B—C14B	1.389 (4)
C8A—C9A	1.392 (6)	C13B—C18B	1.393 (3)
C9A—C10A	1.371 (5)	C14B—C15B	1.372 (5)
C10A—C11A	1.513 (4)	C15B—C16B	1.392 (5)
C11A—C12A	1.560 (4)	C16B—C17B	1.396 (4)
C12A—C13A	1.522 (4)	C16B—C19B	1.436 (5)
C12A—C24A	1.543 (4)	C17B—C18B	1.385 (4)
C12A—C21A	1.524 (4)	C17B—C20B	1.447 (4)
C13A—C14A	1.403 (4)	C22B—C23B	1.476 (7)
C13A—C18A	1.384 (4)	C25B—C26B	1.470 (6)
C14A—C15A	1.383 (4)	C2B—H2BA	0.9300
C15A—C16A	1.400 (4)	C3B—H3BA	0.9300
C15A—C19A	1.440 (4)	C4B—H4BA	0.9300
C16A—C20A	1.451 (4)	C5B—H5BA	0.9300
C16A—C17A	1.369 (4)	C7B—H7BA	0.9300
C17A—C18A	1.378 (5)	C8B—H8BA	0.9300
C22A—C23A	1.482 (7)	C9B—H9BA	0.9300
C25A—C26A	1.474 (7)	C11B—H11C	0.9700
C2A—H2AA	0.9300	C11B—H11D	0.9700
C3A—H3AA	0.9300	C14B—H14B	0.9300
C4A—H4AA	0.9300	C15B—H15A	0.9300
C5A—H5AA	0.9300	C18B—H18B	0.9300
C7A—H7AA	0.9300	C22B—H22C	0.9700
C8A—H8AA	0.9300	C22B—H22D	0.9700
C9A—H9AA	0.9300	C23B—H23D	0.9600
C11A—H11A	0.9700	C23B—H23E	0.9600
C11A—H11B	0.9700	C23B—H23F	0.9600
C14A—H14A	0.9300	C25B—H25C	0.9700
C17A—H17A	0.9300	C25B—H25D	0.9700
C18A—H18A	0.9300	C26B—H26D	0.9600
C22A—H22A	0.9700	C26B—H26E	0.9600
C22A—H22B	0.9700	C26B—H26F	0.9600
O1A···O3A	2.982 (3)	C18B···C1B	3.154 (4)
O1A···C18A	3.161 (4)	C19A···C9A^ii	3.523 (4)
O1B···C14B	3.164 (4)	C19A···C8A^ii	3.551 (6)
O1B···O3B	2.994 (3)	C19B···C1B^ii	3.512 (5)
O2A···C18A	3.398 (4)	C19B···C10B^ii	3.397 (5)
O2B···C14B	3.404 (4)	C20A···C1A^ii	3.580 (4)
O2B···C2A^i	3.399 (4)	C20A···C10A^ii	3.389 (4)
O3A···O1A	2.982 (3)	C20A···C11A^ii	3.585 (4)
O3B···C9B	3.363 (4)	C20B···C8B^ii	3.439 (6)
O3B···O1B	2.994 (3)	C20B···C9B^ii	3.520 (4)
O4A···C7B	3.369 (6)	C21A···C9A	3.210 (4)
O4A···C14A	2.908 (4)	C24B···C9B	3.185 (4)
O4B···C8A^ii	3.313 (5)	C1A···H14A	3.0700
O4B···C9A^ii	3.341 (4)	C1B···H18B	3.0600
O4B···C18B	2.903 (3)	C2A···H11B	2.6400
O1A···H18A	2.8000	C2B···H11D	2.6300
O1B···H14B	2.8100	C10A···H14A	2.9000
O2A···H18A	2.7900	C10B···H18B	2.9200
O2A···H25B	2.6100	C11A···H2AA	2.7000
O2A···H11B	2.6500	C11B···H2BA	2.6800
O2A···H25A	2.7600	C13A···H2AA	3.0300
O2A···H2BA^iii	2.7000	C13B···H2BA	3.0000
O2A···H11A	2.7200	C21A···H14A	2.7700
O2B···H22C	2.7200	C21A···H9AA	2.8900
O2B···H14B	2.8000	C21B···H14B	2.4100
O2B···H2AA^i	2.6000	C24A···H18A	2.4100
O2B···H11D	2.6600	C24B···H9BA	2.8700
O2B···H11C	2.6600	C24B···H18B	2.7600
O2B···H22D	2.6400	C26B···H22A^vi	2.9200
O3A···H9AA	2.8300	H2AA···H11B	2.0800
O3A···H11A	2.5500	H2AA···C11A	2.7000
O3B···H9BA	2.7200	H2AA···C13A	3.0300
O3B···H11C	2.5400	H2AA···O2B^iii	2.6000
O4A···H14A	2.4300	H2BA···H11D	2.0700
O4A···H7BA	2.5900	H2BA···O2A^i	2.7000
O4A···H22A	2.4400	H2BA···C11B	2.6800
O4B···H9AA^ii	2.7400	H2BA···C13B	3.0000
O4B···H22B^ii	2.7400	H5AA···H26B^viii	2.4400
O4B···H8AA^ii	2.7000	H5AA···H7AA	2.5000
O4B···H18B	2.4300	H5BA···H23E^viii	2.5200
O4B···H25C	2.3800	H5BA···H7BA	2.4700
N1B···C11B^ii	3.295 (4)	H7AA···H5AA	2.5000
N1B···C18A^iv	3.447 (4)	H7BA···H5BA	2.4700
N2A···C14B^v	3.423 (5)	H7BA···O4A	2.5900
N2A···C11A^ii	3.285 (4)	H8AA···O4B^viii	2.7000
N1A···H25D	2.8200	H8AA···H18B^viii	2.5300
N1A···H23C^vi	2.9400	H11A···O2A	2.7200
N1B···H23D^vii	2.6800	H11A···H26A^xi	2.4000
N1B···H11D^ii	2.9100	H11A···O3A	2.5500
N1B···H18A^iv	2.8300	H11A···H9AA	2.4200
N1B···H17A^iv	2.8800	H11B···N2A^viii	2.8900
N2A···H26A^vi	2.6400	H11B···O2A	2.6500
N2A···H15A^v	2.8900	H11B···C2A	2.6400
N2A···H14B^v	2.8000	H11B···H2AA	2.0800
N2A···H11B^ii	2.8900	H11C···O2B	2.6600
N2B···H26F^vii	2.7800	H11C···H23D^xii	2.3000
C1A···C16A^viii	3.552 (4)	H11C···O3B	2.5400
C1A···C13A	3.400 (4)	H11C···H9BA	2.4200
C1A···C14A	3.130 (4)	H11D···N1B^viii	2.9100
C1A···C20A^viii	3.580 (4)	H11D···O2B	2.6600
C1B···C18B	3.154 (4)	H11D···C2B	2.6300
C1B···C13B	3.419 (4)	H11D···H2BA	2.0700
C1B···C19B^viii	3.512 (5)	H9AA···O3A	2.8300
C1B···C16B^viii	3.521 (4)	H9AA···C21A	2.8900
C2A···C14A	3.309 (4)	H9AA···H11A	2.4200
C2A···O2B^iii	3.399 (4)	H9AA···O4B^viii	2.7400
C2A···C15A	3.527 (4)	H9BA···H11C	2.4200
C2A···C13A	3.370 (4)	H9BA···O3B	2.7200
C2B···C18B	3.280 (4)	H9BA···C24B	2.8700
C2B···C17B	3.528 (4)	H14A···O4A	2.4300
C2B···C13B	3.360 (4)	H14A···C1A	3.0700
C7B···O4A	3.369 (6)	H14A···C10A	2.9000
C8A···C19A^viii	3.551 (6)	H14A···C21A	2.7700
C8A···O4B^viii	3.313 (5)	H14B···O1B	2.8100
C8B···C20B^viii	3.439 (6)	H14B···O2B	2.8000
C9A···C21A	3.210 (4)	H14B···C21B	2.4100
C9A···O4B^viii	3.341 (4)	H14B···N2A^ix	2.8000
C9A···C19A^viii	3.523 (4)	H15A···N2A^ix	2.8900
C9B···C20B^viii	3.520 (4)	H17A···N1B^x	2.8800
C9B···C24B	3.185 (4)	H18A···O1A	2.8000
C9B···O3B	3.363 (4)	H18A···O2A	2.7900
C10A···C20A^viii	3.389 (4)	H18A···C24A	2.4100
C10A···C14A	3.124 (4)	H18A···N1B^x	2.8300
C10B···C18B	3.160 (4)	H18B···H8AA^ii	2.5300
C10B···C19B^viii	3.397 (5)	H18B···O4B	2.4300
C11A···C20A^viii	3.585 (4)	H18B···C1B	3.0600
C11A···N2A^viii	3.285 (4)	H18B···C10B	2.9200
C11B···N1B^viii	3.295 (4)	H18B···C24B	2.7600
C13A···C2A	3.370 (4)	H22A···H26E^vii	2.3600
C13A···C1A	3.400 (4)	H22A···C26B^vii	2.9200
C13B···C2B	3.360 (4)	H22A···O4A	2.4400
C13B···C1B	3.419 (4)	H22B···O4B^viii	2.7400
C14A···C2A	3.309 (4)	H22B···H25C^viii	2.4800
C14A···C1A	3.130 (4)	H22C···O2B	2.7200
C14A···C10A	3.124 (4)	H22D···O2B	2.6400
C14A···O4A	2.908 (4)	H23C···N1A^vii	2.9400
C14B···O1B	3.164 (4)	H23D···H11C^xiii	2.3000
C14B···N2A^ix	3.423 (5)	H23D···N1B^vi	2.6800
C14B···O2B	3.404 (4)	H23E···H5BA^ii	2.5200
C15A···C2A	3.527 (4)	H25A···O2A	2.7600
C16A···C1A^ii	3.552 (4)	H25B···O2A	2.6100
C16B···C1B^ii	3.521 (4)	H25C···H22B^ii	2.4800
C17B···C2B	3.528 (4)	H25C···O4B	2.3800
C18A···N1B^x	3.447 (4)	H25D···N1A	2.8200
C18A···O2A	3.398 (4)	H26A···N2A^vii	2.6400
C18A···O1A	3.161 (4)	H26A···H11A^xiv	2.4000
C18B···C2B	3.280 (4)	H26B···H5AA^ii	2.4400
C18B···O4B	2.903 (3)	H26E···H22A^vi	2.3600
C18B···C10B	3.160 (4)	H26F···N2B^vi	2.7800
C24A—O1A—C25A	117.5 (3)	H26A—C26A—H26B	109.00
C21A—O3A—C22A	118.3 (3)	C25A—C26A—H26A	109.00
C21B—O1B—C22B	117.1 (3)	C2B—C1B—C6B	117.5 (3)
C24B—O3B—C25B	118.8 (3)	C2B—C1B—C10B	123.1 (3)
C6A—C1A—C10A	118.4 (3)	C6B—C1B—C10B	119.5 (3)
C2A—C1A—C10A	123.6 (3)	C1B—C2B—C3B	121.4 (4)
C2A—C1A—C6A	118.1 (3)	C2B—C3B—C4B	120.3 (4)
C1A—C2A—C3A	121.4 (3)	C3B—C4B—C5B	120.4 (4)
C2A—C3A—C4A	121.0 (4)	C4B—C5B—C6B	121.1 (4)
C3A—C4A—C5A	119.6 (4)	C1B—C6B—C5B	119.3 (4)
C4A—C5A—C6A	122.0 (4)	C1B—C6B—C7B	118.9 (4)
C5A—C6A—C7A	122.2 (4)	C5B—C6B—C7B	121.8 (4)
C1A—C6A—C5A	117.8 (4)	C6B—C7B—C8B	122.0 (5)
C1A—C6A—C7A	120.0 (3)	C7B—C8B—C9B	118.6 (4)
C6A—C7A—C8A	120.1 (4)	C8B—C9B—C10B	122.6 (4)
C7A—C8A—C9A	120.8 (4)	C1B—C10B—C9B	118.5 (3)
C8A—C9A—C10A	122.1 (3)	C1B—C10B—C11B	122.4 (3)
C1A—C10A—C9A	118.6 (3)	C9B—C10B—C11B	119.2 (3)
C9A—C10A—C11A	119.2 (3)	C10B—C11B—C12B	114.1 (3)
C1A—C10A—C11A	122.3 (3)	C11B—C12B—C13B	110.0 (2)
C10A—C11A—C12A	114.4 (2)	C11B—C12B—C21B	107.8 (2)
C11A—C12A—C21A	110.4 (2)	C11B—C12B—C24B	110.5 (2)
C11A—C12A—C13A	109.8 (2)	C13B—C12B—C21B	110.0 (2)
C13A—C12A—C24A	109.3 (2)	C13B—C12B—C24B	113.7 (2)
C11A—C12A—C24A	108.2 (2)	C21B—C12B—C24B	104.6 (2)
C13A—C12A—C21A	113.8 (2)	C12B—C13B—C14B	120.0 (2)
C21A—C12A—C24A	105.1 (2)	C12B—C13B—C18B	121.5 (2)
C12A—C13A—C18A	120.2 (2)	C14B—C13B—C18B	118.1 (2)
C14A—C13A—C18A	118.1 (3)	C13B—C14B—C15B	121.7 (3)
C12A—C13A—C14A	121.1 (3)	C14B—C15B—C16B	120.3 (3)
C13A—C14A—C15A	120.4 (3)	C15B—C16B—C17B	118.7 (3)
C14A—C15A—C19A	119.3 (3)	C15B—C16B—C19B	119.1 (3)
C14A—C15A—C16A	120.1 (2)	C17B—C16B—C19B	122.2 (3)
C16A—C15A—C19A	120.6 (2)	C16B—C17B—C18B	120.5 (3)
C17A—C16A—C20A	119.9 (3)	C16B—C17B—C20B	119.8 (3)
C15A—C16A—C17A	119.4 (3)	C18B—C17B—C20B	119.8 (3)
C15A—C16A—C20A	120.6 (2)	C13B—C18B—C17B	120.7 (3)
C16A—C17A—C18A	120.4 (3)	N1B—C19B—C16B	178.9 (3)
C13A—C18A—C17A	121.5 (3)	N2B—C20B—C17B	179.0 (4)
N1A—C19A—C15A	178.9 (4)	O1B—C21B—O2B	125.1 (3)
N2A—C20A—C16A	177.4 (4)	O1B—C21B—C12B	109.5 (3)
O3A—C21A—C12A	109.1 (2)	O2B—C21B—C12B	125.5 (3)
O3A—C21A—O4A	123.6 (3)	O1B—C22B—C23B	107.1 (4)
O4A—C21A—C12A	127.2 (2)	O3B—C24B—O4B	124.5 (3)
O3A—C22A—C23A	107.0 (3)	O3B—C24B—C12B	108.5 (2)
O1A—C24A—C12A	109.3 (2)	O4B—C24B—C12B	127.0 (2)
O1A—C24A—O2A	124.9 (3)	O3B—C25B—C26B	108.4 (3)
O2A—C24A—C12A	125.8 (3)	C1B—C2B—H2BA	119.00
O1A—C25A—C26A	107.6 (4)	C3B—C2B—H2BA	119.00
C1A—C2A—H2AA	119.00	C2B—C3B—H3BA	120.00
C3A—C2A—H2AA	119.00	C4B—C3B—H3BA	120.00
C2A—C3A—H3AA	119.00	C3B—C4B—H4BA	120.00
C4A—C3A—H3AA	120.00	C5B—C4B—H4BA	120.00
C5A—C4A—H4AA	120.00	C4B—C5B—H5BA	119.00
C3A—C4A—H4AA	120.00	C6B—C5B—H5BA	120.00
C4A—C5A—H5AA	119.00	C6B—C7B—H7BA	119.00
C6A—C5A—H5AA	119.00	C8B—C7B—H7BA	119.00
C6A—C7A—H7AA	120.00	C7B—C8B—H8BA	121.00
C8A—C7A—H7AA	120.00	C9B—C8B—H8BA	121.00
C9A—C8A—H8AA	120.00	C8B—C9B—H9BA	119.00
C7A—C8A—H8AA	120.00	C10B—C9B—H9BA	119.00
C8A—C9A—H9AA	119.00	C10B—C11B—H11C	109.00
C10A—C9A—H9AA	119.00	C10B—C11B—H11D	109.00
C10A—C11A—H11B	109.00	C12B—C11B—H11C	109.00
C10A—C11A—H11A	109.00	C12B—C11B—H11D	109.00
H11A—C11A—H11B	108.00	H11C—C11B—H11D	108.00
C12A—C11A—H11B	109.00	C13B—C14B—H14B	119.00
C12A—C11A—H11A	109.00	C15B—C14B—H14B	119.00
C15A—C14A—H14A	120.00	C14B—C15B—H15A	120.00
C13A—C14A—H14A	120.00	C16B—C15B—H15A	120.00
C16A—C17A—H17A	120.00	C13B—C18B—H18B	120.00
C18A—C17A—H17A	120.00	C17B—C18B—H18B	120.00
C17A—C18A—H18A	119.00	O1B—C22B—H22C	110.00
C13A—C18A—H18A	119.00	O1B—C22B—H22D	110.00
C23A—C22A—H22A	110.00	C23B—C22B—H22C	110.00
C23A—C22A—H22B	110.00	C23B—C22B—H22D	110.00
H22A—C22A—H22B	109.00	H22C—C22B—H22D	109.00
O3A—C22A—H22B	110.00	C22B—C23B—H23D	110.00
O3A—C22A—H22A	110.00	C22B—C23B—H23E	110.00
C22A—C23A—H23B	109.00	C22B—C23B—H23F	109.00
C22A—C23A—H23A	109.00	H23D—C23B—H23E	110.00
H23A—C23A—H23C	109.00	H23D—C23B—H23F	109.00
H23B—C23A—H23C	109.00	H23E—C23B—H23F	109.00
C22A—C23A—H23C	110.00	O3B—C25B—H25C	110.00
H23A—C23A—H23B	109.00	O3B—C25B—H25D	110.00
O1A—C25A—H25A	110.00	C26B—C25B—H25C	110.00
C26A—C25A—H25B	110.00	C26B—C25B—H25D	110.00
O1A—C25A—H25B	110.00	H25C—C25B—H25D	108.00
C26A—C25A—H25A	110.00	C25B—C26B—H26D	110.00
H25A—C25A—H25B	109.00	C25B—C26B—H26E	109.00
C25A—C26A—H26B	109.00	C25B—C26B—H26F	109.00
C25A—C26A—H26C	110.00	H26D—C26B—H26E	109.00
H26A—C26A—H26C	110.00	H26D—C26B—H26F	109.00
H26B—C26A—H26C	110.00	H26E—C26B—H26F	109.00
C24A—O1A—C25A—C26A	−173.8 (3)	C19A—C15A—C16A—C17A	177.8 (3)
C25A—O1A—C24A—C12A	−179.1 (3)	C14A—C15A—C16A—C17A	0.4 (4)
C25A—O1A—C24A—O2A	0.8 (5)	C14A—C15A—C16A—C20A	−176.2 (3)
C22A—O3A—C21A—C12A	−174.4 (3)	C15A—C16A—C17A—C18A	−1.5 (5)
C21A—O3A—C22A—C23A	153.1 (3)	C20A—C16A—C17A—C18A	175.1 (3)
C22A—O3A—C21A—O4A	4.2 (4)	C16A—C17A—C18A—C13A	0.3 (5)
C22B—O1B—C21B—C12B	−179.0 (3)	C2B—C1B—C6B—C5B	2.2 (6)
C22B—O1B—C21B—O2B	1.2 (5)	C2B—C1B—C6B—C7B	−177.8 (4)
C21B—O1B—C22B—C23B	−177.0 (3)	C10B—C1B—C6B—C7B	2.0 (6)
C24B—O3B—C25B—C26B	143.0 (4)	C2B—C1B—C10B—C9B	177.4 (3)
C25B—O3B—C24B—O4B	1.0 (5)	C10B—C1B—C6B—C5B	−178.0 (4)
C25B—O3B—C24B—C12B	−177.1 (3)	C10B—C1B—C2B—C3B	178.8 (4)
C2A—C1A—C10A—C9A	177.0 (3)	C6B—C1B—C2B—C3B	−1.5 (5)
C10A—C1A—C6A—C7A	2.2 (6)	C6B—C1B—C10B—C11B	177.0 (3)
C6A—C1A—C2A—C3A	−1.6 (5)	C2B—C1B—C10B—C11B	−3.3 (5)
C10A—C1A—C2A—C3A	178.7 (3)	C6B—C1B—C10B—C9B	−2.4 (5)
C10A—C1A—C6A—C5A	−177.5 (4)	C1B—C2B—C3B—C4B	0.2 (6)
C2A—C1A—C6A—C7A	−177.6 (4)	C2B—C3B—C4B—C5B	0.3 (8)
C6A—C1A—C10A—C9A	−2.7 (5)	C3B—C4B—C5B—C6B	0.5 (9)
C2A—C1A—C10A—C11A	−3.7 (5)	C4B—C5B—C6B—C7B	178.2 (5)
C6A—C1A—C10A—C11A	176.6 (3)	C4B—C5B—C6B—C1B	−1.7 (8)
C2A—C1A—C6A—C5A	2.8 (5)	C1B—C6B—C7B—C8B	−0.1 (7)
C1A—C2A—C3A—C4A	−0.6 (6)	C5B—C6B—C7B—C8B	179.9 (5)
C2A—C3A—C4A—C5A	1.7 (7)	C6B—C7B—C8B—C9B	−1.3 (7)
C3A—C4A—C5A—C6A	−0.4 (7)	C7B—C8B—C9B—C10B	0.9 (6)
C4A—C5A—C6A—C7A	178.5 (5)	C8B—C9B—C10B—C1B	1.0 (5)
C4A—C5A—C6A—C1A	−1.8 (7)	C8B—C9B—C10B—C11B	−178.4 (3)
C5A—C6A—C7A—C8A	179.4 (4)	C1B—C10B—C11B—C12B	−95.2 (4)
C1A—C6A—C7A—C8A	−0.2 (7)	C9B—C10B—C11B—C12B	84.2 (4)
C6A—C7A—C8A—C9A	−1.2 (7)	C10B—C11B—C12B—C21B	−175.4 (3)
C7A—C8A—C9A—C10A	0.6 (6)	C10B—C11B—C12B—C24B	−61.7 (3)
C8A—C9A—C10A—C11A	−178.0 (3)	C10B—C11B—C12B—C13B	64.6 (3)
C8A—C9A—C10A—C1A	1.4 (5)	C11B—C12B—C21B—O1B	168.5 (2)
C1A—C10A—C11A—C12A	−95.1 (3)	C24B—C12B—C21B—O1B	50.9 (3)
C9A—C10A—C11A—C12A	84.2 (3)	C13B—C12B—C21B—O2B	108.3 (4)
C10A—C11A—C12A—C13A	62.1 (3)	C11B—C12B—C24B—O4B	122.4 (3)
C10A—C11A—C12A—C24A	−178.7 (2)	C11B—C12B—C21B—O2B	−11.7 (4)
C10A—C11A—C12A—C21A	−64.2 (3)	C13B—C12B—C21B—O1B	−71.6 (3)
C13A—C12A—C21A—O4A	−4.3 (4)	C21B—C12B—C24B—O3B	56.1 (3)
C24A—C12A—C21A—O3A	54.7 (3)	C21B—C12B—C24B—O4B	−121.9 (3)
C24A—C12A—C21A—O4A	−123.8 (3)	C24B—C12B—C21B—O2B	−129.2 (3)
C11A—C12A—C24A—O2A	−11.1 (4)	C11B—C12B—C24B—O3B	−59.6 (3)
C11A—C12A—C21A—O4A	119.7 (3)	C24B—C12B—C13B—C14B	−141.9 (3)
C21A—C12A—C24A—O1A	50.9 (3)	C24B—C12B—C13B—C18B	45.5 (3)
C13A—C12A—C21A—O3A	174.2 (2)	C13B—C12B—C24B—O3B	176.1 (2)
C21A—C12A—C13A—C18A	−142.3 (3)	C13B—C12B—C24B—O4B	−1.9 (4)
C21A—C12A—C24A—O2A	−129.0 (3)	C11B—C12B—C13B—C14B	93.7 (3)
C11A—C12A—C24A—O1A	168.8 (2)	C11B—C12B—C13B—C18B	−79.0 (3)
C13A—C12A—C24A—O2A	108.5 (3)	C21B—C12B—C13B—C14B	−25.0 (3)
C11A—C12A—C13A—C14A	−77.9 (3)	C21B—C12B—C13B—C18B	162.4 (3)
C21A—C12A—C13A—C14A	46.4 (3)	C12B—C13B—C18B—C17B	169.7 (3)
C13A—C12A—C24A—O1A	−71.6 (3)	C14B—C13B—C18B—C17B	−3.1 (4)
C11A—C12A—C13A—C18A	93.4 (3)	C18B—C13B—C14B—C15B	1.6 (4)
C11A—C12A—C21A—O3A	−61.8 (3)	C12B—C13B—C14B—C15B	−171.3 (3)
C24A—C12A—C13A—C18A	−25.2 (4)	C13B—C14B—C15B—C16B	1.1 (5)
C24A—C12A—C13A—C14A	163.5 (3)	C14B—C15B—C16B—C19B	176.9 (3)
C14A—C13A—C18A—C17A	1.9 (4)	C14B—C15B—C16B—C17B	−2.4 (5)
C12A—C13A—C14A—C15A	168.5 (3)	C15B—C16B—C17B—C18B	0.9 (4)
C12A—C13A—C18A—C17A	−169.7 (3)	C19B—C16B—C17B—C20B	0.5 (5)
C18A—C13A—C14A—C15A	−2.9 (4)	C15B—C16B—C17B—C20B	179.8 (3)
C13A—C14A—C15A—C16A	1.9 (4)	C19B—C16B—C17B—C18B	−178.3 (3)
C13A—C14A—C15A—C19A	−175.6 (3)	C16B—C17B—C18B—C13B	1.9 (4)
C19A—C15A—C16A—C20A	1.2 (4)	C20B—C17B—C18B—C13B	−177.0 (3)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C2A—H2AA···O2B^iii	0.93	2.60	3.399 (4)	145
C7B—H7BA···O4A	0.93	2.59	3.369 (6)	141
C14A—H14A···O4A	0.93	2.43	2.908 (4)	112
C18B—H18B···O4B	0.93	2.43	2.903 (3)	111
C25B—H25C···O4B	0.97	2.38	2.723 (4)	100

Symmetry code: (iii) −x+1/2, y+1/2, z−1/2.