1,2-Dibenzo­yl-3,4-bis­(4-methoxy­phen­yl)cyclo­butane

The title compound, C₃₂H₂₈O₄, crystallizes with two conformers, α and β, in the asymmetric unit. In both conformers, the benzo­yl and methoxy­phen­yl groups are in cis positions. The cyclo­butane rings are puckered, with average absolute torsion angles of 10.8 (2) and 11.4 (1)° for conformers α and β, respectively. The crystal packing is stabilized by weak inter­molecular C—H...O hydrogen bonds and benzene π–π inter­actions.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• R factor = 0.046
• wR factor = 0.116
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

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Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1999); data reduction: SHELXTL (Siemens, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2000); software used to prepare material for publication: SHELXL97.

1,2-Dibenzoyl-3,4-bis(4-methoxyphenyl)cyclobutane

Crystal data

C32H28O4	Z = 4
Mr = 476.54	F(000) = 1008
Triclinic, P1	Dx = 1.266 Mg m^−3
Hall symbol: -p 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.8522 (12) Å	Cell parameters from 1015 reflections
b = 11.4576 (2) Å	θ = 2.8–24.4°
c = 20.2987 (2) Å	µ = 0.08 mm^−1
α = 93.580 (1)°	T = 295 K
β = 95.311 (1)°	Parallelepiped, light yellow
γ = 94.243 (1)°	0.60 × 0.27 × 0.25 mm
V = 2500.1 (3) Å^3

Data collection

Bruker SMART CCD area-detector diffractometer	8678 independent reflections
Radiation source: fine-focus sealed tube	6125 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.024
Detector resolution: 512 x 512 pixels mm^-1	θmax = 25.0°, θmin = 1.8°
ω scans	h = −12→12
Absorption correction: multi-scan (SADABS; Bruker, 1998)	k = −13→13
Tmin = 0.975, Tmax = 0.981	l = −24→22
13113 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: riding model
R[F^2 > 2σ(F^2)] = 0.046	H-atom parameters constrained
wR(F^2) = 0.116	w = 1/[σ^2(Fo^2) + (0.0417P)^2 + 0.8936P] where P = (Fo^2 + 2Fc^2)/3
S = 1.04	(Δ/σ)max < 0.001
8678 reflections	Δρmax = 0.20 e Å^−3
650 parameters	Δρmin = −0.20 e Å^−3
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0083 (7)

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
C1A	0.82233 (17)	0.23863 (16)	0.11283 (10)	0.0290 (5)
H1A	0.8396	0.2604	0.0685	0.035*
C2A	0.85069 (17)	0.34673 (16)	0.16207 (10)	0.0279 (4)
H2A	0.8763	0.3208	0.2060	0.034*
C3A	0.70875 (17)	0.36795 (16)	0.15799 (10)	0.0285 (5)
H3A	0.6783	0.3685	0.2020	0.034*
C4A	0.68061 (17)	0.24344 (15)	0.11967 (10)	0.0274 (4)
H4A	0.6334	0.2484	0.0765	0.033*
C10A	0.88588 (18)	0.12907 (17)	0.12844 (11)	0.0323 (5)
C11A	0.86574 (17)	0.02572 (17)	0.07911 (10)	0.0305 (5)
C12A	0.88767 (19)	−0.08432 (17)	0.10027 (12)	0.0380 (5)
H12A	0.9143	−0.0921	0.1445	0.046*
C13A	0.8704 (2)	−0.18246 (19)	0.05633 (12)	0.0436 (6)
H13A	0.8841	−0.2560	0.0712	0.052*
C14A	0.8328 (2)	−0.17118 (18)	−0.00938 (12)	0.0437 (6)
H14A	0.8218	−0.2372	−0.0390	0.052*
C15A	0.8115 (2)	−0.06263 (19)	−0.03143 (12)	0.0481 (6)
H15A	0.7866	−0.0552	−0.0760	0.058*
C16A	0.8271 (2)	0.03561 (18)	0.01284 (11)	0.0407 (6)
H16A	0.8115	0.1087	−0.0020	0.049*
C21A	0.94208 (17)	0.44483 (16)	0.14672 (10)	0.0287 (5)
C22A	0.95310 (19)	0.55113 (17)	0.18375 (10)	0.0341 (5)
H22A	0.9029	0.5614	0.2180	0.041*
C23A	1.03660 (19)	0.64304 (17)	0.17145 (10)	0.0341 (5)
H23A	1.0419	0.7135	0.1973	0.041*
C24A	1.11152 (19)	0.62959 (17)	0.12083 (11)	0.0351 (5)
C25A	1.1017 (2)	0.52483 (19)	0.08303 (13)	0.0521 (7)
H25A	1.1519	0.5149	0.0487	0.062*
C26A	1.0177 (2)	0.43404 (18)	0.09565 (12)	0.0450 (6)
H26A	1.0119	0.3642	0.0693	0.054*
C27A	1.2196 (2)	0.81811 (19)	0.14851 (13)	0.0522 (7)
H2A1	1.1438	0.8551	0.1522	0.078*
H2A2	1.2795	0.8717	0.1318	0.078*
H2A3	1.2513	0.7965	0.1914	0.078*
C31A	0.66582 (17)	0.46941 (16)	0.12100 (10)	0.0277 (5)
C32A	0.6177 (2)	0.56211 (17)	0.15423 (11)	0.0389 (5)
H32A	0.6114	0.5602	0.1995	0.047*
C33A	0.5786 (2)	0.65777 (18)	0.12172 (12)	0.0446 (6)
H33A	0.5472	0.7194	0.1452	0.054*
C34A	0.58644 (19)	0.66116 (17)	0.05447 (12)	0.0372 (5)
C35A	0.63433 (19)	0.56920 (17)	0.02026 (11)	0.0370 (5)
H35A	0.6401	0.5710	−0.0251	0.044*
C36A	0.67339 (18)	0.47529 (17)	0.05317 (10)	0.0318 (5)
H36A	0.7056	0.4143	0.0296	0.038*
C37A	0.5242 (3)	0.8557 (2)	0.05107 (15)	0.0706 (9)
H3A1	0.4976	0.9102	0.0197	0.106*
H3A2	0.5989	0.8883	0.0768	0.106*
H3A3	0.4605	0.8408	0.0800	0.106*
C40A	0.61989 (19)	0.15291 (17)	0.15953 (10)	0.0323 (5)
C41A	0.48987 (18)	0.16633 (16)	0.17505 (10)	0.0318 (5)
C42A	0.4339 (2)	0.08469 (18)	0.21345 (11)	0.0401 (6)
H42A	0.4772	0.0226	0.2281	0.048*
C43A	0.3141 (2)	0.0959 (2)	0.22976 (12)	0.0491 (7)
H43A	0.2765	0.0407	0.2548	0.059*
C44A	0.2504 (2)	0.1889 (2)	0.20887 (12)	0.0487 (6)
H44A	0.1703	0.1966	0.2203	0.058*
C45A	0.30500 (19)	0.2705 (2)	0.17110 (11)	0.0411 (6)
H45A	0.2617	0.3331	0.1572	0.049*
C46A	0.42398 (18)	0.25911 (17)	0.15396 (10)	0.0329 (5)
H46A	0.4603	0.3138	0.1282	0.039*
O1A	0.95417 (14)	0.12642 (13)	0.17935 (8)	0.0474 (4)
O2A	1.19629 (15)	0.71566 (13)	0.10413 (8)	0.0508 (4)
O3A	0.54729 (15)	0.74907 (12)	0.01670 (8)	0.0499 (4)
O4A	0.67518 (15)	0.07144 (14)	0.17885 (9)	0.0579 (5)
C1B	0.16911 (17)	0.73130 (16)	0.38058 (10)	0.0271 (4)
H1B	0.1297	0.7208	0.4216	0.032*
C2B	0.18385 (18)	0.61130 (16)	0.34124 (10)	0.0284 (5)
H2B	0.1436	0.6108	0.2960	0.034*
C3B	0.32733 (17)	0.64945 (16)	0.34249 (10)	0.0276 (4)
H3B	0.3429	0.6813	0.3000	0.033*
C4B	0.31293 (17)	0.75186 (16)	0.39322 (10)	0.0285 (5)
H4B	0.3393	0.7292	0.4378	0.034*
C10B	0.10344 (18)	0.81284 (16)	0.33672 (10)	0.0293 (5)
C11B	−0.03478 (18)	0.79520 (16)	0.32401 (10)	0.0281 (5)
C12B	−0.10278 (18)	0.69915 (17)	0.34552 (10)	0.0320 (5)
H12B	−0.0618	0.6435	0.3686	0.038*
C13B	−0.23044 (19)	0.68610 (19)	0.33278 (11)	0.0388 (5)
H13B	−0.2749	0.6212	0.3468	0.047*
C14B	−0.2922 (2)	0.76916 (19)	0.29932 (11)	0.0421 (6)
H14B	−0.3783	0.7612	0.2917	0.051*
C15B	−0.2257 (2)	0.86417 (19)	0.27718 (11)	0.0423 (6)
H15B	−0.2673	0.9197	0.2543	0.051*
C16B	−0.0978 (2)	0.87694 (17)	0.28889 (10)	0.0353 (5)
H16B	−0.0536	0.9404	0.2733	0.042*
C21B	0.14352 (17)	0.50050 (16)	0.37227 (10)	0.0275 (4)
C22B	0.10582 (19)	0.40007 (17)	0.33144 (11)	0.0355 (5)
H22B	0.1067	0.4032	0.2858	0.043*
C23B	0.0668 (2)	0.29505 (18)	0.35650 (11)	0.0387 (5)
H23B	0.0429	0.2289	0.3280	0.046*
C24B	0.06385 (19)	0.28976 (17)	0.42408 (11)	0.0352 (5)
C25B	0.1017 (2)	0.38894 (17)	0.46568 (11)	0.0375 (5)
H25B	0.1007	0.3856	0.5113	0.045*
C26B	0.14085 (19)	0.49283 (17)	0.43999 (10)	0.0332 (5)
H26B	0.1658	0.5586	0.4686	0.040*
C27B	0.0146 (2)	0.08327 (18)	0.41557 (13)	0.0518 (7)
H2B1	−0.0139	0.0213	0.4415	0.078*
H2B2	0.0945	0.0682	0.4018	0.078*
H2B3	−0.0433	0.0870	0.3772	0.078*
C31B	0.42024 (17)	0.56142 (16)	0.35829 (10)	0.0274 (4)
C32B	0.4310 (2)	0.46712 (18)	0.31346 (11)	0.0380 (5)
H32B	0.3805	0.4599	0.2736	0.046*
C33B	0.5142 (2)	0.38348 (18)	0.32601 (11)	0.0380 (5)
H33B	0.5182	0.3207	0.2952	0.046*
C34B	0.59123 (18)	0.39379 (17)	0.38457 (11)	0.0337 (5)
C35B	0.58252 (19)	0.48723 (18)	0.42979 (11)	0.0380 (5)
H35B	0.6337	0.4951	0.4694	0.046*
C36B	0.49804 (18)	0.56906 (17)	0.41637 (11)	0.0340 (5)
H36B	0.4935	0.6313	0.4475	0.041*
C37B	0.7015 (2)	0.2281 (2)	0.35445 (14)	0.0589 (7)
H3B1	0.7623	0.1799	0.3733	0.088*
H3B2	0.7324	0.2647	0.3173	0.088*
H3B3	0.6262	0.1804	0.3399	0.088*
C40B	0.37795 (18)	0.87000 (17)	0.38309 (11)	0.0313 (5)
C41B	0.35753 (17)	0.97162 (16)	0.42953 (10)	0.0300 (5)
C42B	0.3140 (2)	0.95696 (18)	0.49086 (11)	0.0371 (5)
H42B	0.2965	0.8817	0.5041	0.045*
C43B	0.2963 (2)	1.05354 (18)	0.53261 (12)	0.0428 (6)
H43B	0.2684	1.0432	0.5740	0.051*
C44B	0.3203 (2)	1.16469 (19)	0.51245 (12)	0.0431 (6)
H44B	0.3076	1.2295	0.5402	0.052*
C45B	0.3627 (2)	1.18091 (18)	0.45178 (12)	0.0435 (6)
H45B	0.3779	1.2563	0.4383	0.052*
C46B	0.38283 (19)	1.08461 (17)	0.41069 (11)	0.0369 (5)
H46B	0.4136	1.0957	0.3701	0.044*
O1B	0.16104 (13)	0.88884 (12)	0.30997 (8)	0.0425 (4)
O2B	0.02399 (15)	0.19212 (12)	0.45442 (8)	0.0484 (4)
O3B	0.67690 (14)	0.31626 (13)	0.40314 (8)	0.0484 (4)
O4B	0.44670 (13)	0.88113 (12)	0.33945 (8)	0.0415 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1A	0.0278 (11)	0.0304 (11)	0.0288 (12)	0.0001 (8)	0.0023 (9)	0.0040 (9)
C2A	0.0280 (11)	0.0304 (10)	0.0252 (11)	0.0021 (8)	0.0000 (9)	0.0052 (8)
C3A	0.0275 (11)	0.0290 (10)	0.0291 (12)	−0.0009 (8)	0.0049 (9)	0.0041 (8)
C4A	0.0270 (11)	0.0261 (10)	0.0290 (12)	0.0007 (8)	0.0002 (9)	0.0054 (8)
C10A	0.0256 (11)	0.0346 (11)	0.0364 (13)	0.0031 (9)	0.0008 (10)	0.0041 (9)
C11A	0.0237 (11)	0.0334 (11)	0.0346 (13)	0.0028 (8)	0.0026 (9)	0.0037 (9)
C12A	0.0382 (13)	0.0365 (12)	0.0398 (14)	0.0077 (9)	0.0005 (10)	0.0068 (10)
C13A	0.0449 (14)	0.0332 (12)	0.0534 (17)	0.0089 (10)	0.0006 (12)	0.0075 (11)
C14A	0.0491 (15)	0.0316 (12)	0.0491 (16)	0.0046 (10)	0.0010 (12)	−0.0041 (11)
C15A	0.0684 (17)	0.0388 (13)	0.0354 (14)	0.0055 (11)	−0.0038 (12)	0.0008 (11)
C16A	0.0526 (15)	0.0305 (12)	0.0389 (14)	0.0045 (10)	0.0002 (11)	0.0065 (10)
C21A	0.0251 (11)	0.0307 (11)	0.0298 (12)	0.0015 (8)	−0.0010 (9)	0.0050 (9)
C22A	0.0375 (12)	0.0396 (12)	0.0249 (12)	−0.0022 (9)	0.0049 (9)	0.0026 (9)
C23A	0.0394 (12)	0.0324 (11)	0.0293 (12)	−0.0019 (9)	0.0003 (10)	0.0013 (9)
C24A	0.0315 (12)	0.0338 (12)	0.0403 (14)	−0.0029 (9)	0.0066 (10)	0.0079 (10)
C25A	0.0492 (15)	0.0455 (14)	0.0641 (18)	−0.0052 (11)	0.0331 (13)	−0.0058 (12)
C26A	0.0418 (13)	0.0347 (12)	0.0592 (17)	−0.0020 (10)	0.0211 (12)	−0.0077 (11)
C27A	0.0525 (15)	0.0395 (13)	0.0622 (18)	−0.0156 (11)	0.0078 (13)	0.0039 (12)
C31A	0.0231 (10)	0.0270 (10)	0.0326 (12)	−0.0011 (8)	0.0022 (9)	0.0049 (9)
C32A	0.0505 (14)	0.0342 (12)	0.0323 (13)	0.0071 (10)	0.0029 (10)	0.0020 (10)
C33A	0.0523 (15)	0.0313 (12)	0.0504 (16)	0.0124 (10)	0.0019 (12)	−0.0018 (11)
C34A	0.0350 (12)	0.0273 (11)	0.0481 (15)	−0.0005 (9)	−0.0057 (10)	0.0115 (10)
C35A	0.0389 (13)	0.0359 (12)	0.0371 (13)	−0.0004 (9)	0.0048 (10)	0.0117 (10)
C36A	0.0322 (12)	0.0302 (11)	0.0338 (13)	0.0011 (9)	0.0066 (9)	0.0069 (9)
C37A	0.083 (2)	0.0406 (15)	0.092 (2)	0.0242 (14)	0.0053 (17)	0.0197 (14)
C40A	0.0370 (12)	0.0267 (11)	0.0336 (13)	0.0012 (9)	0.0037 (10)	0.0074 (9)
C41A	0.0336 (12)	0.0300 (11)	0.0308 (12)	−0.0063 (9)	0.0039 (9)	0.0025 (9)
C42A	0.0466 (14)	0.0344 (12)	0.0379 (14)	−0.0091 (10)	0.0071 (11)	0.0029 (10)
C43A	0.0511 (16)	0.0525 (15)	0.0410 (15)	−0.0231 (12)	0.0135 (12)	0.0000 (12)
C44A	0.0329 (13)	0.0683 (17)	0.0412 (15)	−0.0131 (12)	0.0096 (11)	−0.0137 (13)
C45A	0.0314 (13)	0.0519 (14)	0.0378 (14)	0.0027 (10)	−0.0012 (10)	−0.0069 (11)
C46A	0.0301 (12)	0.0357 (11)	0.0319 (13)	−0.0035 (9)	0.0019 (9)	0.0024 (9)
O1A	0.0461 (10)	0.0459 (9)	0.0471 (11)	0.0133 (7)	−0.0155 (8)	−0.0014 (7)
O2A	0.0523 (10)	0.0408 (9)	0.0597 (12)	−0.0138 (7)	0.0220 (8)	0.0030 (8)
O3A	0.0573 (11)	0.0312 (8)	0.0606 (12)	0.0065 (7)	−0.0081 (8)	0.0160 (7)
O4A	0.0567 (11)	0.0478 (10)	0.0796 (14)	0.0200 (8)	0.0268 (10)	0.0372 (9)
C1B	0.0259 (11)	0.0294 (10)	0.0266 (11)	0.0050 (8)	0.0030 (8)	0.0034 (8)
C2B	0.0300 (11)	0.0287 (10)	0.0260 (12)	0.0047 (8)	−0.0013 (9)	0.0018 (8)
C3B	0.0282 (11)	0.0295 (10)	0.0253 (11)	0.0036 (8)	0.0021 (8)	0.0022 (8)
C4B	0.0277 (11)	0.0294 (11)	0.0283 (12)	0.0051 (8)	0.0001 (9)	0.0017 (8)
C10B	0.0327 (12)	0.0261 (10)	0.0296 (12)	0.0043 (9)	0.0056 (9)	0.0011 (9)
C11B	0.0308 (11)	0.0300 (11)	0.0248 (11)	0.0081 (8)	0.0049 (9)	0.0018 (8)
C12B	0.0323 (12)	0.0361 (11)	0.0294 (12)	0.0082 (9)	0.0066 (9)	0.0063 (9)
C13B	0.0338 (13)	0.0446 (13)	0.0391 (14)	0.0019 (10)	0.0116 (10)	0.0011 (10)
C14B	0.0290 (12)	0.0555 (14)	0.0423 (15)	0.0106 (11)	0.0033 (10)	−0.0010 (11)
C15B	0.0412 (14)	0.0481 (14)	0.0390 (14)	0.0210 (11)	−0.0018 (11)	0.0037 (11)
C16B	0.0410 (13)	0.0344 (11)	0.0324 (13)	0.0108 (9)	0.0051 (10)	0.0065 (9)
C21B	0.0219 (10)	0.0280 (10)	0.0325 (12)	0.0060 (8)	−0.0006 (9)	0.0023 (9)
C22B	0.0407 (13)	0.0371 (12)	0.0289 (13)	0.0044 (9)	0.0050 (10)	0.0008 (9)
C23B	0.0422 (13)	0.0313 (12)	0.0414 (15)	0.0000 (9)	0.0041 (10)	−0.0021 (10)
C24B	0.0321 (12)	0.0306 (11)	0.0441 (14)	0.0045 (9)	0.0060 (10)	0.0067 (10)
C25B	0.0459 (13)	0.0383 (12)	0.0303 (13)	0.0100 (10)	0.0044 (10)	0.0087 (10)
C26B	0.0370 (12)	0.0307 (11)	0.0312 (13)	0.0070 (9)	−0.0022 (9)	−0.0003 (9)
C27B	0.0556 (16)	0.0290 (12)	0.0715 (19)	0.0011 (10)	0.0098 (13)	0.0065 (12)
C31B	0.0246 (10)	0.0296 (10)	0.0285 (12)	0.0021 (8)	0.0047 (9)	0.0030 (9)
C32B	0.0389 (13)	0.0432 (12)	0.0313 (13)	0.0129 (10)	−0.0034 (10)	−0.0032 (10)
C33B	0.0397 (13)	0.0366 (12)	0.0383 (14)	0.0129 (10)	0.0026 (10)	−0.0018 (10)
C34B	0.0278 (11)	0.0339 (11)	0.0424 (14)	0.0091 (9)	0.0078 (10)	0.0118 (10)
C35B	0.0310 (12)	0.0469 (13)	0.0350 (13)	0.0058 (10)	−0.0052 (10)	0.0041 (10)
C36B	0.0336 (12)	0.0349 (11)	0.0325 (13)	0.0041 (9)	−0.0006 (10)	−0.0009 (9)
C37B	0.0579 (17)	0.0579 (16)	0.0679 (19)	0.0326 (13)	0.0166 (14)	0.0106 (14)
C40B	0.0234 (11)	0.0343 (11)	0.0354 (13)	0.0030 (8)	0.0001 (9)	0.0002 (9)
C41B	0.0232 (10)	0.0310 (11)	0.0347 (13)	0.0012 (8)	0.0005 (9)	−0.0004 (9)
C42B	0.0429 (13)	0.0308 (11)	0.0372 (14)	0.0000 (9)	0.0048 (10)	0.0006 (10)
C43B	0.0496 (14)	0.0409 (13)	0.0377 (14)	−0.0004 (10)	0.0114 (11)	−0.0041 (10)
C44B	0.0446 (14)	0.0346 (12)	0.0481 (16)	−0.0003 (10)	0.0070 (11)	−0.0121 (11)
C45B	0.0480 (14)	0.0289 (11)	0.0528 (16)	−0.0035 (10)	0.0073 (12)	−0.0001 (10)
C46B	0.0357 (12)	0.0367 (12)	0.0377 (13)	−0.0045 (9)	0.0078 (10)	0.0003 (10)
O1B	0.0376 (9)	0.0401 (8)	0.0511 (10)	−0.0014 (7)	0.0043 (7)	0.0194 (7)
O2B	0.0594 (11)	0.0322 (8)	0.0562 (11)	0.0000 (7)	0.0170 (8)	0.0108 (7)
O3B	0.0443 (10)	0.0520 (10)	0.0532 (11)	0.0237 (8)	0.0049 (8)	0.0122 (8)
O4B	0.0363 (9)	0.0415 (9)	0.0477 (10)	0.0002 (7)	0.0161 (8)	−0.0033 (7)

Geometric parameters (Å, º)

C1A—C10A	1.513 (3)	C1B—C10B	1.503 (3)
C1A—C2A	1.536 (3)	C1B—C4B	1.556 (3)
C1A—C4A	1.562 (3)	C1B—C2B	1.573 (2)
C1A—H1A	0.9800	C1B—H1B	0.9800
C2A—C21A	1.510 (3)	C2B—C21B	1.506 (3)
C2A—C3A	1.573 (3)	C2B—C3B	1.583 (3)
C2A—H2A	0.9800	C2B—H2B	0.9800
C3A—C31A	1.502 (3)	C3B—C31B	1.506 (3)
C3A—C4A	1.577 (3)	C3B—C4B	1.539 (3)
C3A—H3A	0.9800	C3B—H3B	0.9800
C4A—C40A	1.506 (3)	C4B—C40B	1.514 (3)
C4A—H4A	0.9800	C4B—H4B	0.9800
C10A—O1A	1.218 (2)	C10B—O1B	1.219 (2)
C10A—C11A	1.492 (3)	C10B—C11B	1.495 (3)
C11A—C16A	1.385 (3)	C11B—C16B	1.393 (3)
C11A—C12A	1.387 (3)	C11B—C12B	1.395 (3)
C12A—C13A	1.381 (3)	C12B—C13B	1.381 (3)
C12A—H12A	0.9300	C12B—H12B	0.9300
C13A—C14A	1.375 (3)	C13B—C14B	1.381 (3)
C13A—H13A	0.9300	C13B—H13B	0.9300
C14A—C15A	1.376 (3)	C14B—C15B	1.383 (3)
C14A—H14A	0.9300	C14B—H14B	0.9300
C15A—C16A	1.386 (3)	C15B—C16B	1.382 (3)
C15A—H15A	0.9300	C15B—H15B	0.9300
C16A—H16A	0.9300	C16B—H16B	0.9300
C21A—C22A	1.382 (3)	C21B—C26B	1.386 (3)
C21A—C26A	1.386 (3)	C21B—C22B	1.388 (3)
C22A—C23A	1.388 (3)	C22B—C23B	1.388 (3)
C22A—H22A	0.9300	C22B—H22B	0.9300
C23A—C24A	1.376 (3)	C23B—C24B	1.380 (3)
C23A—H23A	0.9300	C23B—H23B	0.9300
C24A—C25A	1.375 (3)	C24B—O2B	1.372 (2)
C24A—O2A	1.378 (2)	C24B—C25B	1.386 (3)
C25A—C26A	1.384 (3)	C25B—C26B	1.383 (3)
C25A—H25A	0.9300	C25B—H25B	0.9300
C26A—H26A	0.9300	C26B—H26B	0.9300
C27A—O2A	1.427 (3)	C27B—O2B	1.425 (3)
C27A—H2A1	0.9600	C27B—H2B1	0.9600
C27A—H2A2	0.9600	C27B—H2B2	0.9600
C27A—H2A3	0.9600	C27B—H2B3	0.9600
C31A—C32A	1.384 (3)	C31B—C36B	1.379 (3)
C31A—C36A	1.392 (3)	C31B—C32B	1.387 (3)
C32A—C33A	1.387 (3)	C32B—C33B	1.384 (3)
C32A—H32A	0.9300	C32B—H32B	0.9300
C33A—C34A	1.378 (3)	C33B—C34B	1.382 (3)
C33A—H33A	0.9300	C33B—H33B	0.9300
C34A—O3A	1.372 (3)	C34B—O3B	1.377 (2)
C34A—C35A	1.385 (3)	C34B—C35B	1.380 (3)
C35A—C36A	1.374 (3)	C35B—C36B	1.381 (3)
C35A—H35A	0.9300	C35B—H35B	0.9300
C36A—H36A	0.9300	C36B—H36B	0.9300
C37A—O3A	1.419 (3)	C37B—O3B	1.425 (3)
C37A—H3A1	0.9600	C37B—H3B1	0.9600
C37A—H3A2	0.9600	C37B—H3B2	0.9600
C37A—H3A3	0.9600	C37B—H3B3	0.9600
C40A—O4A	1.213 (2)	C40B—O4B	1.217 (2)
C40A—C41A	1.491 (3)	C40B—C41B	1.494 (3)
C41A—C46A	1.392 (3)	C41B—C42B	1.387 (3)
C41A—C42A	1.395 (3)	C41B—C46B	1.388 (3)
C42A—C43A	1.384 (3)	C42B—C43B	1.387 (3)
C42A—H42A	0.9300	C42B—H42B	0.9300
C43A—C44A	1.380 (4)	C43B—C44B	1.376 (3)
C43A—H43A	0.9300	C43B—H43B	0.9300
C44A—C45A	1.380 (3)	C44B—C45B	1.373 (3)
C44A—H44A	0.9300	C44B—H44B	0.9300
C45A—C46A	1.381 (3)	C45B—C46B	1.384 (3)
C45A—H45A	0.9300	C45B—H45B	0.9300
C46A—H46A	0.9300	C46B—H46B	0.9300
C10A—C1A—C2A	117.67 (17)	C10B—C1B—C4B	117.30 (16)
C10A—C1A—C4A	120.11 (15)	C10B—C1B—C2B	110.83 (16)
C2A—C1A—C4A	90.06 (14)	C4B—C1B—C2B	89.48 (13)
C10A—C1A—H1A	109.2	C10B—C1B—H1B	112.4
C2A—C1A—H1A	109.2	C4B—C1B—H1B	112.4
C4A—C1A—H1A	109.2	C2B—C1B—H1B	112.4
C21A—C2A—C1A	119.45 (16)	C21B—C2B—C1B	117.46 (16)
C21A—C2A—C3A	118.82 (16)	C21B—C2B—C3B	119.25 (16)
C1A—C2A—C3A	90.38 (14)	C1B—C2B—C3B	88.15 (13)
C21A—C2A—H2A	108.9	C21B—C2B—H2B	110.1
C1A—C2A—H2A	108.9	C1B—C2B—H2B	110.1
C3A—C2A—H2A	108.9	C3B—C2B—H2B	110.1
C31A—C3A—C2A	118.03 (15)	C31B—C3B—C4B	120.04 (17)
C31A—C3A—C4A	115.52 (17)	C31B—C3B—C2B	119.25 (15)
C2A—C3A—C4A	88.20 (13)	C4B—C3B—C2B	89.71 (13)
C31A—C3A—H3A	111.1	C31B—C3B—H3B	108.8
C2A—C3A—H3A	111.1	C4B—C3B—H3B	108.8
C4A—C3A—H3A	111.1	C2B—C3B—H3B	108.8
C40A—C4A—C1A	117.44 (16)	C40B—C4B—C3B	117.58 (17)
C40A—C4A—C3A	113.74 (16)	C40B—C4B—C1B	120.43 (16)
C1A—C4A—C3A	89.29 (13)	C3B—C4B—C1B	90.36 (14)
C40A—C4A—H4A	111.5	C40B—C4B—H4B	109.0
C1A—C4A—H4A	111.5	C3B—C4B—H4B	109.0
C3A—C4A—H4A	111.5	C1B—C4B—H4B	109.0
O1A—C10A—C11A	120.87 (19)	O1B—C10B—C11B	120.36 (18)
O1A—C10A—C1A	120.70 (18)	O1B—C10B—C1B	121.25 (18)
C11A—C10A—C1A	118.40 (18)	C11B—C10B—C1B	118.33 (16)
C16A—C11A—C12A	118.75 (19)	C16B—C11B—C12B	118.83 (19)
C16A—C11A—C10A	122.51 (18)	C16B—C11B—C10B	118.86 (17)
C12A—C11A—C10A	118.7 (2)	C12B—C11B—C10B	122.31 (18)
C13A—C12A—C11A	120.7 (2)	C13B—C12B—C11B	120.50 (19)
C13A—C12A—H12A	119.6	C13B—C12B—H12B	119.7
C11A—C12A—H12A	119.6	C11B—C12B—H12B	119.7
C14A—C13A—C12A	119.9 (2)	C14B—C13B—C12B	120.1 (2)
C14A—C13A—H13A	120.1	C14B—C13B—H13B	119.9
C12A—C13A—H13A	120.1	C12B—C13B—H13B	119.9
C13A—C14A—C15A	120.3 (2)	C13B—C14B—C15B	119.9 (2)
C13A—C14A—H14A	119.9	C13B—C14B—H14B	120.1
C15A—C14A—H14A	119.9	C15B—C14B—H14B	120.1
C14A—C15A—C16A	119.9 (2)	C16B—C15B—C14B	120.3 (2)
C14A—C15A—H15A	120.1	C16B—C15B—H15B	119.9
C16A—C15A—H15A	120.1	C14B—C15B—H15B	119.9
C11A—C16A—C15A	120.5 (2)	C15B—C16B—C11B	120.3 (2)
C11A—C16A—H16A	119.8	C15B—C16B—H16B	119.8
C15A—C16A—H16A	119.8	C11B—C16B—H16B	119.8
C22A—C21A—C26A	116.87 (18)	C26B—C21B—C22B	117.47 (18)
C22A—C21A—C2A	120.50 (17)	C26B—C21B—C2B	123.57 (17)
C26A—C21A—C2A	122.63 (17)	C22B—C21B—C2B	118.96 (18)
C21A—C22A—C23A	122.18 (19)	C23B—C22B—C21B	122.1 (2)
C21A—C22A—H22A	118.9	C23B—C22B—H22B	118.9
C23A—C22A—H22A	118.9	C21B—C22B—H22B	118.9
C24A—C23A—C22A	119.76 (18)	C24B—C23B—C22B	119.38 (19)
C24A—C23A—H23A	120.1	C24B—C23B—H23B	120.3
C22A—C23A—H23A	120.1	C22B—C23B—H23B	120.3
C25A—C24A—C23A	119.10 (18)	O2B—C24B—C23B	124.67 (18)
C25A—C24A—O2A	116.60 (19)	O2B—C24B—C25B	116.0 (2)
C23A—C24A—O2A	124.29 (18)	C23B—C24B—C25B	119.34 (19)
C24A—C25A—C26A	120.6 (2)	C26B—C25B—C24B	120.6 (2)
C24A—C25A—H25A	119.7	C26B—C25B—H25B	119.7
C26A—C25A—H25A	119.7	C24B—C25B—H25B	119.7
C25A—C26A—C21A	121.52 (19)	C25B—C26B—C21B	121.06 (19)
C25A—C26A—H26A	119.2	C25B—C26B—H26B	119.5
C21A—C26A—H26A	119.2	C21B—C26B—H26B	119.5
O2A—C27A—H2A1	109.5	O2B—C27B—H2B1	109.5
O2A—C27A—H2A2	109.5	O2B—C27B—H2B2	109.5
H2A1—C27A—H2A2	109.5	H2B1—C27B—H2B2	109.5
O2A—C27A—H2A3	109.5	O2B—C27B—H2B3	109.5
H2A1—C27A—H2A3	109.5	H2B1—C27B—H2B3	109.5
H2A2—C27A—H2A3	109.5	H2B2—C27B—H2B3	109.5
C32A—C31A—C36A	117.42 (19)	C36B—C31B—C32B	116.69 (19)
C32A—C31A—C3A	120.25 (19)	C36B—C31B—C3B	123.13 (17)
C36A—C31A—C3A	122.33 (17)	C32B—C31B—C3B	120.18 (18)
C31A—C32A—C33A	121.7 (2)	C33B—C32B—C31B	122.3 (2)
C31A—C32A—H32A	119.1	C33B—C32B—H32B	118.9
C33A—C32A—H32A	119.1	C31B—C32B—H32B	118.9
C34A—C33A—C32A	119.7 (2)	C34B—C33B—C32B	119.66 (19)
C34A—C33A—H33A	120.1	C34B—C33B—H33B	120.2
C32A—C33A—H33A	120.1	C32B—C33B—H33B	120.2
O3A—C34A—C33A	125.0 (2)	O3B—C34B—C35B	115.7 (2)
O3A—C34A—C35A	115.5 (2)	O3B—C34B—C33B	125.29 (19)
C33A—C34A—C35A	119.5 (2)	C35B—C34B—C33B	119.04 (19)
C36A—C35A—C34A	120.2 (2)	C34B—C35B—C36B	120.2 (2)
C36A—C35A—H35A	119.9	C34B—C35B—H35B	119.9
C34A—C35A—H35A	119.9	C36B—C35B—H35B	119.9
C35A—C36A—C31A	121.50 (19)	C31B—C36B—C35B	122.10 (19)
C35A—C36A—H36A	119.3	C31B—C36B—H36B	118.9
C31A—C36A—H36A	119.3	C35B—C36B—H36B	118.9
O3A—C37A—H3A1	109.5	O3B—C37B—H3B1	109.5
O3A—C37A—H3A2	109.5	O3B—C37B—H3B2	109.5
H3A1—C37A—H3A2	109.5	H3B1—C37B—H3B2	109.5
O3A—C37A—H3A3	109.5	O3B—C37B—H3B3	109.5
H3A1—C37A—H3A3	109.5	H3B1—C37B—H3B3	109.5
H3A2—C37A—H3A3	109.5	H3B2—C37B—H3B3	109.5
O4A—C40A—C41A	120.69 (18)	O4B—C40B—C41B	121.15 (17)
O4A—C40A—C4A	121.07 (19)	O4B—C40B—C4B	120.99 (17)
C41A—C40A—C4A	118.24 (17)	C41B—C40B—C4B	117.85 (17)
C46A—C41A—C42A	119.12 (19)	C42B—C41B—C46B	118.80 (18)
C46A—C41A—C40A	122.16 (17)	C42B—C41B—C40B	122.26 (18)
C42A—C41A—C40A	118.70 (19)	C46B—C41B—C40B	118.93 (19)
C43A—C42A—C41A	120.1 (2)	C43B—C42B—C41B	120.55 (19)
C43A—C42A—H42A	119.9	C43B—C42B—H42B	119.7
C41A—C42A—H42A	119.9	C41B—C42B—H42B	119.7
C44A—C43A—C42A	120.0 (2)	C44B—C43B—C42B	119.6 (2)
C44A—C43A—H43A	120.0	C44B—C43B—H43B	120.2
C42A—C43A—H43A	120.0	C42B—C43B—H43B	120.2
C45A—C44A—C43A	120.4 (2)	C45B—C44B—C43B	120.7 (2)
C45A—C44A—H44A	119.8	C45B—C44B—H44B	119.7
C43A—C44A—H44A	119.8	C43B—C44B—H44B	119.7
C44A—C45A—C46A	119.9 (2)	C44B—C45B—C46B	119.7 (2)
C44A—C45A—H45A	120.0	C44B—C45B—H45B	120.1
C46A—C45A—H45A	120.0	C46B—C45B—H45B	120.1
C45A—C46A—C41A	120.4 (2)	C45B—C46B—C41B	120.6 (2)
C45A—C46A—H46A	119.8	C45B—C46B—H46B	119.7
C41A—C46A—H46A	119.8	C41B—C46B—H46B	119.7
C24A—O2A—C27A	116.84 (17)	C24B—O2B—C27B	116.51 (18)
C34A—O3A—C37A	117.0 (2)	C34B—O3B—C37B	117.43 (19)
C10A—C1A—C2A—C21A	100.6 (2)	C10B—C1B—C2B—C21B	−129.82 (18)
C4A—C1A—C2A—C21A	−134.83 (18)	C4B—C1B—C2B—C21B	111.02 (18)
C10A—C1A—C2A—C3A	−135.49 (17)	C10B—C1B—C2B—C3B	107.89 (16)
C4A—C1A—C2A—C3A	−10.95 (15)	C4B—C1B—C2B—C3B	−11.27 (14)
C21A—C2A—C3A—C31A	17.1 (3)	C21B—C2B—C3B—C31B	15.5 (3)
C1A—C2A—C3A—C31A	−107.28 (18)	C1B—C2B—C3B—C31B	136.21 (18)
C21A—C2A—C3A—C4A	135.25 (17)	C21B—C2B—C3B—C4B	−109.32 (18)
C1A—C2A—C3A—C4A	10.85 (15)	C1B—C2B—C3B—C4B	11.40 (15)
C10A—C1A—C4A—C40A	16.9 (3)	C31B—C3B—C4B—C40B	99.3 (2)
C2A—C1A—C4A—C40A	−105.65 (18)	C2B—C3B—C4B—C40B	−136.59 (17)
C10A—C1A—C4A—C3A	133.43 (19)	C31B—C3B—C4B—C1B	−135.67 (17)
C2A—C1A—C4A—C3A	10.92 (15)	C2B—C3B—C4B—C1B	−11.51 (15)
C31A—C3A—C4A—C40A	−130.41 (18)	C10B—C1B—C4B—C40B	21.0 (3)
C2A—C3A—C4A—C40A	109.19 (17)	C2B—C1B—C4B—C40B	134.32 (18)
C31A—C3A—C4A—C1A	109.72 (17)	C10B—C1B—C4B—C3B	−101.71 (18)
C2A—C3A—C4A—C1A	−10.67 (14)	C2B—C1B—C4B—C3B	11.59 (15)
C2A—C1A—C10A—O1A	2.1 (3)	C4B—C1B—C10B—O1B	3.0 (3)
C4A—C1A—C10A—O1A	−105.7 (2)	C2B—C1B—C10B—O1B	−97.7 (2)
C2A—C1A—C10A—C11A	−176.18 (16)	C4B—C1B—C10B—C11B	−179.78 (16)
C4A—C1A—C10A—C11A	76.0 (2)	C2B—C1B—C10B—C11B	79.5 (2)
O1A—C10A—C11A—C16A	−156.9 (2)	O1B—C10B—C11B—C16B	−9.0 (3)
C1A—C10A—C11A—C16A	21.4 (3)	C1B—C10B—C11B—C16B	173.76 (17)
O1A—C10A—C11A—C12A	22.5 (3)	O1B—C10B—C11B—C12B	170.39 (18)
C1A—C10A—C11A—C12A	−159.25 (18)	C1B—C10B—C11B—C12B	−6.9 (3)
C16A—C11A—C12A—C13A	−0.5 (3)	C16B—C11B—C12B—C13B	−0.7 (3)
C10A—C11A—C12A—C13A	−179.95 (19)	C10B—C11B—C12B—C13B	179.98 (18)
C11A—C12A—C13A—C14A	1.0 (3)	C11B—C12B—C13B—C14B	−0.9 (3)
C12A—C13A—C14A—C15A	−0.5 (3)	C12B—C13B—C14B—C15B	1.5 (3)
C13A—C14A—C15A—C16A	−0.4 (4)	C13B—C14B—C15B—C16B	−0.6 (3)
C12A—C11A—C16A—C15A	−0.4 (3)	C14B—C15B—C16B—C11B	−1.0 (3)
C10A—C11A—C16A—C15A	179.0 (2)	C12B—C11B—C16B—C15B	1.6 (3)
C14A—C15A—C16A—C11A	0.9 (3)	C10B—C11B—C16B—C15B	−179.01 (18)
C1A—C2A—C21A—C22A	168.59 (19)	C1B—C2B—C21B—C26B	−26.0 (3)
C3A—C2A—C21A—C22A	60.0 (3)	C3B—C2B—C21B—C26B	78.4 (2)
C1A—C2A—C21A—C26A	−11.1 (3)	C1B—C2B—C21B—C22B	153.50 (18)
C3A—C2A—C21A—C26A	−119.7 (2)	C3B—C2B—C21B—C22B	−102.1 (2)
C26A—C21A—C22A—C23A	−0.7 (3)	C26B—C21B—C22B—C23B	−0.1 (3)
C2A—C21A—C22A—C23A	179.54 (19)	C2B—C21B—C22B—C23B	−179.64 (19)
C21A—C22A—C23A—C24A	0.1 (3)	C21B—C22B—C23B—C24B	0.7 (3)
C22A—C23A—C24A—C25A	0.3 (3)	C22B—C23B—C24B—O2B	178.15 (19)
C22A—C23A—C24A—O2A	179.3 (2)	C22B—C23B—C24B—C25B	−1.0 (3)
C23A—C24A—C25A—C26A	0.0 (4)	O2B—C24B—C25B—C26B	−178.51 (18)
O2A—C24A—C25A—C26A	−179.1 (2)	C23B—C24B—C25B—C26B	0.7 (3)
C24A—C25A—C26A—C21A	−0.6 (4)	C24B—C25B—C26B—C21B	−0.1 (3)
C22A—C21A—C26A—C25A	1.0 (4)	C22B—C21B—C26B—C25B	−0.2 (3)
C2A—C21A—C26A—C25A	−179.3 (2)	C2B—C21B—C26B—C25B	179.31 (18)
C2A—C3A—C31A—C32A	−115.3 (2)	C4B—C3B—C31B—C36B	−2.0 (3)
C4A—C3A—C31A—C32A	142.26 (18)	C2B—C3B—C31B—C36B	−110.5 (2)
C2A—C3A—C31A—C36A	64.1 (2)	C4B—C3B—C31B—C32B	178.15 (18)
C4A—C3A—C31A—C36A	−38.3 (2)	C2B—C3B—C31B—C32B	69.7 (2)
C36A—C31A—C32A—C33A	−0.2 (3)	C36B—C31B—C32B—C33B	0.7 (3)
C3A—C31A—C32A—C33A	179.2 (2)	C3B—C31B—C32B—C33B	−179.44 (19)
C31A—C32A—C33A—C34A	0.6 (3)	C31B—C32B—C33B—C34B	−0.9 (3)
C32A—C33A—C34A—O3A	177.9 (2)	C32B—C33B—C34B—O3B	179.41 (19)
C32A—C33A—C34A—C35A	−0.5 (3)	C32B—C33B—C34B—C35B	0.6 (3)
O3A—C34A—C35A—C36A	−178.42 (18)	O3B—C34B—C35B—C36B	−179.01 (18)
C33A—C34A—C35A—C36A	0.1 (3)	C33B—C34B—C35B—C36B	−0.1 (3)
C34A—C35A—C36A—C31A	0.2 (3)	C32B—C31B—C36B—C35B	−0.2 (3)
C32A—C31A—C36A—C35A	−0.2 (3)	C3B—C31B—C36B—C35B	179.97 (18)
C3A—C31A—C36A—C35A	−179.60 (18)	C34B—C35B—C36B—C31B	−0.1 (3)
C1A—C4A—C40A—O4A	−8.5 (3)	C3B—C4B—C40B—O4B	−5.6 (3)
C3A—C4A—C40A—O4A	−110.8 (2)	C1B—C4B—C40B—O4B	−113.9 (2)
C1A—C4A—C40A—C41A	171.16 (17)	C3B—C4B—C40B—C41B	176.02 (17)
C3A—C4A—C40A—C41A	68.8 (2)	C1B—C4B—C40B—C41B	67.7 (2)
O4A—C40A—C41A—C46A	179.6 (2)	O4B—C40B—C41B—C42B	−159.1 (2)
C4A—C40A—C41A—C46A	0.0 (3)	C4B—C40B—C41B—C42B	19.3 (3)
O4A—C40A—C41A—C42A	1.3 (3)	O4B—C40B—C41B—C46B	21.0 (3)
C4A—C40A—C41A—C42A	−178.31 (18)	C4B—C40B—C41B—C46B	−160.60 (19)
C46A—C41A—C42A—C43A	0.5 (3)	C46B—C41B—C42B—C43B	−0.1 (3)
C40A—C41A—C42A—C43A	178.83 (19)	C40B—C41B—C42B—C43B	180.0 (2)
C41A—C42A—C43A—C44A	−1.0 (3)	C41B—C42B—C43B—C44B	1.1 (3)
C42A—C43A—C44A—C45A	0.7 (3)	C42B—C43B—C44B—C45B	−0.7 (4)
C43A—C44A—C45A—C46A	0.1 (3)	C43B—C44B—C45B—C46B	−0.6 (4)
C44A—C45A—C46A—C41A	−0.6 (3)	C44B—C45B—C46B—C41B	1.6 (3)
C42A—C41A—C46A—C45A	0.3 (3)	C42B—C41B—C46B—C45B	−1.2 (3)
C40A—C41A—C46A—C45A	−177.98 (18)	C40B—C41B—C46B—C45B	178.7 (2)
C25A—C24A—O2A—C27A	−171.5 (2)	C23B—C24B—O2B—C27B	16.1 (3)
C23A—C24A—O2A—C27A	9.5 (3)	C25B—C24B—O2B—C27B	−164.80 (19)
C33A—C34A—O3A—C37A	15.3 (3)	C35B—C34B—O3B—C37B	−171.37 (19)
C35A—C34A—O3A—C37A	−166.2 (2)	C33B—C34B—O3B—C37B	9.8 (3)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C3B—H3B···O4B	0.98	2.53	2.873 (2)	100
C16B—H16B···O1B	0.93	2.50	2.794 (3)	98
C46B—H46B···O4B	0.93	2.56	2.830 (2)	97
C2A—H2A···O1A	0.98	2.49	2.866 (2)	103
C12A—H12A···O1A	0.93	2.55	2.823 (3)	97
C42A—H42A···O4A	0.93	2.49	2.785 (3)	98
C43A—H43A···O1B^i	0.93	2.46	3.382 (3)	174
C15B—H15B···O4A^ii	0.93	2.46	3.369 (3)	164
C44A—H44A···O1A^iii	0.93	2.47	3.234 (3)	139
C4A—H4A···O3A^iv	0.98	2.60	3.547 (3)	163
C2B—H2B···C23A^iii	0.98	2.74	3.713 (3)	172

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