Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807010781/wk2044sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807010781/wk2044Isup2.hkl |
CCDC reference: 643131
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (Wave) = 0.000 Å
- R factor = 0.044
- wR factor = 0.103
- Data-to-parameter ratio = 7.4
checkCIF/PLATON results
No syntax errors found
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 24.97 From the CIF: _reflns_number_total 6228 Count of symmetry unique reflns 6287 Completeness (_total/calc) 99.06% 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 0 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: CAD-4-PC Software (Enraf–Nonius, 1993); cell refinement: CAD-4-PC Software; data reduction: DATRD2 in NRCVAX (Gabe et al., 1989); 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).
C31H24 | F(000) = 2520 |
Mr = 396.5 | Dx = 1.212 Mg m−3 |
Orthorhombic, P212121 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2ac 2ab | Cell parameters from 25 reflections |
a = 13.478 (2) Å | θ = 20–25° |
b = 19.1167 (14) Å | µ = 0.07 mm−1 |
c = 25.2951 (17) Å | T = 295 K |
V = 6517.5 (12) Å3 | Cube, yellow |
Z = 12 | 0.50 × 0.50 × 0.50 mm |
Enraf–Nonius CAD-4 diffractometer | Rint = 0 |
Radiation source: fine-focus sealed tube | θmax = 25.0°, θmin = 2.0° |
Graphite monochromator | h = 0→16 |
ω scans | k = 0→22 |
6228 measured reflections | l = 0→30 |
6228 independent reflections | 3 standard reflections every 120 min |
4061 reflections with I > 2σ(I) | intensity decay: 0.7% |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.044 | w = 1/[σ2(Fo2) + (0.0436P)2 + 0.4373P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.103 | (Δ/σ)max < 0.001 |
S = 1.03 | Δρmax = 0.12 e Å−3 |
6228 reflections | Δρmin = −0.10 e Å−3 |
838 parameters |
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. Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane) - 4.3591 (0.0122) x + 6.2081 (0.0094) y + 22.4819 (0.0081) z = 5.4801 (0.0085) * 0.0014 (0.0031) C1a * 0.0374 (0.0036) C2a * 0.0384 (0.0038) C3a * 0.0204 (0.0034) C4a * -0.0161 (0.0031) C5a * -0.0351 (0.0033) C6a * -0.0264 (0.0035) C7a * -0.0105 (0.0044) C8a * 0.0205 (0.0051) C9a * 0.0578 (0.0042) C10a * 0.0307 (0.0036) C11a * -0.0254 (0.0032) C12a * -0.0615 (0.0029) C13a * -0.0318 (0.0030) C14a Rms deviation of fitted atoms = 0.0335 9.0040 (0.0090) x + 3.5866 (0.0095) y + 18.2146 (0.0143) z = 5.1381 (0.0077) Angle to previous plane (with approximate e.s.d.) = 61.00 (0.06) * -0.0104 (0.0030) C18a * 0.0030 (0.0031) C19a * -0.0068 (0.0034) C20a * -0.0261 (0.0036) C21a * 0.0057 (0.0039) C22a * 0.0304 (0.0035) C23a * 0.0128 (0.0033) C24a * -0.0079 (0.0033) C25a * -0.0032 (0.0034) C26a * -0.0221 (0.0037) C27a * -0.0128 (0.0039) C28a * 0.0127 (0.0039) C29a * 0.0233 (0.0034) C30a * 0.0014 (0.0031) C31a Rms deviation of fitted atoms = 0.0156 - 8.8990 (0.0096) x + 3.6347 (0.0084) y + 18.3790 (0.0167) z = 13.0053 (0.0052) Angle to previous plane (with approximate e.s.d.) = 83.23 (0.05) * -0.0020 (0.0032) C1b * 0.0378 (0.0038) C2b * 0.0333 (0.0042) C3b * 0.0072 (0.0039) C4b * -0.0211 (0.0034) C5b * -0.0381 (0.0035) C6b * -0.0139 (0.0034) C7b * -0.0046 (0.0042) C8b * 0.0301 (0.0045) C9b * 0.0362 (0.0040) C10b * 0.0113 (0.0034) C11b * -0.0138 (0.0032) C12b * -0.0442 (0.0029) C13b * -0.0183 (0.0030) C14b Rms deviation of fitted atoms = 0.0261 4.1760 (0.0111) x + 2.2061 (0.0090) y + 23.8726 (0.0084) z = 5.9268 (0.0116) Angle to previous plane (with approximate e.s.d.) = 59.79 (0.06) * -0.0627 (0.0028) C18b * -0.0276 (0.0029) C19b * -0.0011 (0.0031) C20b * 0.0352 (0.0037) C21b * 0.0557 (0.0041) C22b * 0.0344 (0.0036) C23b * -0.0158 (0.0033) C24b * -0.0505 (0.0031) C25b * -0.0505 (0.0033) C26b * -0.0306 (0.0034) C27b * 0.0483 (0.0040) C28b * 0.0876 (0.0039) C29b * 0.0230 (0.0033) C30b * -0.0453 (0.0031) C31b Rms deviation of fitted atoms = 0.0456 9.3122 (0.0086) x - 2.1423 (0.0090) y - 18.0659 (0.0150) z = 3.1922 (0.0093) Angle to previous plane (with approximate e.s.d.) = 61.78 (0.05) * 0.0151 (0.0033) C1c * -0.0280 (0.0037) C2c * -0.0461 (0.0036) C3c * -0.0190 (0.0035) C4c * 0.0223 (0.0032) C5c * 0.0350 (0.0032) C6c * 0.0258 (0.0032) C7c * 0.0104 (0.0037) C8c * -0.0240 (0.0039) C9c * -0.0344 (0.0037) C10c * -0.0327 (0.0034) C11c * 0.0131 (0.0031) C12c * 0.0382 (0.0029) C13c * 0.0243 (0.0031) C14c Rms deviation of fitted atoms = 0.0281 5.6347 (0.0105) x - 1.9370 (0.0101) y + 22.8352 (0.0105) z = 0.2506 (0.0048) Angle to previous plane (with approximate e.s.d.) = 69.85 (0.05) * 0.0525 (0.0029) C18c * 0.0292 (0.0031) C19c * 0.0296 (0.0033) C20c * 0.0047 (0.0040) C21c * -0.0341 (0.0041) C22c * -0.0533 (0.0035) C23c * -0.0090 (0.0032) C24c * 0.0076 (0.0033) C25c * 0.0224 (0.0034) C26c * 0.0453 (0.0039) C27c * 0.0339 (0.0047) C28c * -0.0666 (0.0044) C29c * -0.0655 (0.0034) C30c * 0.0031 (0.0031) C31c Rms deviation of fitted atoms = 0.0388 |
x | y | z | Uiso*/Ueq | ||
C1a | 0.2641 (3) | 0.5128 (2) | 0.15327 (14) | 0.0748 (11) | |
H1a | 0.2003 | 0.4986 | 0.1445 | 0.09* | |
C2a | 0.2918 (4) | 0.5786 (2) | 0.14214 (16) | 0.0924 (13) | |
H2a | 0.2469 | 0.609 | 0.1261 | 0.111* | |
C3a | 0.3868 (5) | 0.6019 (2) | 0.15435 (19) | 0.1000 (15) | |
H3a | 0.405 | 0.6475 | 0.146 | 0.12* | |
C4a | 0.4533 (4) | 0.5590 (3) | 0.17826 (16) | 0.0883 (13) | |
H4a | 0.5164 | 0.5754 | 0.1865 | 0.106* | |
C5a | 0.4260 (3) | 0.4882 (2) | 0.19086 (13) | 0.0669 (10) | |
C6a | 0.4916 (3) | 0.4431 (3) | 0.21520 (14) | 0.0748 (12) | |
H6a | 0.5555 | 0.4586 | 0.2225 | 0.09* | |
C7a | 0.4656 (3) | 0.3757 (2) | 0.22916 (14) | 0.0680 (10) | |
C8a | 0.5314 (4) | 0.3299 (3) | 0.25529 (19) | 0.1048 (16) | |
H8a | 0.5953 | 0.3451 | 0.2631 | 0.126* | |
C9a | 0.5042 (5) | 0.2652 (4) | 0.2691 (2) | 0.128 (2) | |
H9a | 0.5497 | 0.2358 | 0.2857 | 0.154* | |
C10a | 0.4086 (4) | 0.2414 (3) | 0.2590 (2) | 0.1129 (16) | |
H10a | 0.3902 | 0.1968 | 0.2699 | 0.136* | |
C11a | 0.3415 (3) | 0.2826 (2) | 0.23333 (16) | 0.0871 (12) | |
H11a | 0.2781 | 0.2656 | 0.2265 | 0.104* | |
C12a | 0.3677 (3) | 0.35143 (19) | 0.21689 (13) | 0.0627 (9) | |
C13a | 0.3009 (2) | 0.39509 (18) | 0.19015 (12) | 0.0559 (9) | |
C14a | 0.3288 (2) | 0.46373 (19) | 0.17806 (12) | 0.0566 (9) | |
C15a | 0.1972 (2) | 0.37153 (19) | 0.17555 (13) | 0.0658 (10) | |
H15a | 0.1964 | 0.321 | 0.1725 | 0.079* | |
H15b | 0.1799 | 0.3909 | 0.1413 | 0.079* | |
C16a | 0.1191 (2) | 0.3941 (2) | 0.21631 (13) | 0.0630 (9) | |
H16a | 0.125 | 0.3649 | 0.2475 | 0.076* | |
H16b | 0.1319 | 0.4421 | 0.2268 | 0.076* | |
C17a | 0.0150 (2) | 0.3886 (2) | 0.19484 (13) | 0.0674 (10) | |
H17a | 0.0014 | 0.34 | 0.1865 | 0.081* | |
H17b | 0.0112 | 0.415 | 0.1621 | 0.081* | |
C18a | −0.0646 (2) | 0.4149 (2) | 0.23188 (13) | 0.0600 (9) | |
C19a | −0.1138 (2) | 0.36860 (19) | 0.26588 (13) | 0.0576 (9) | |
C20a | −0.0916 (3) | 0.2954 (2) | 0.26877 (17) | 0.0769 (11) | |
H20a | −0.0412 | 0.2773 | 0.2478 | 0.092* | |
C21a | −0.1427 (3) | 0.2517 (2) | 0.30157 (19) | 0.0920 (13) | |
H21a | −0.1282 | 0.2042 | 0.3019 | 0.11* | |
C22a | −0.2169 (3) | 0.2782 (3) | 0.33477 (19) | 0.0944 (13) | |
H22a | −0.2507 | 0.2482 | 0.3574 | 0.113* | |
C23a | −0.2397 (3) | 0.3463 (2) | 0.33418 (17) | 0.0797 (12) | |
H23a | −0.2886 | 0.3629 | 0.3569 | 0.096* | |
C24a | −0.1909 (2) | 0.3937 (2) | 0.29971 (14) | 0.0619 (9) | |
C25a | −0.2175 (3) | 0.4634 (2) | 0.29794 (14) | 0.0689 (10) | |
H25a | −0.269 | 0.4793 | 0.3193 | 0.083* | |
C26a | −0.1691 (3) | 0.5103 (2) | 0.26510 (14) | 0.0656 (10) | |
C27a | −0.1965 (3) | 0.5828 (2) | 0.26341 (18) | 0.0896 (13) | |
H27a | −0.2479 | 0.5987 | 0.2848 | 0.108* | |
C28a | −0.1491 (4) | 0.6282 (3) | 0.2314 (2) | 0.1038 (15) | |
H28a | −0.1681 | 0.6749 | 0.2307 | 0.125* | |
C29a | −0.0710 (4) | 0.6047 (3) | 0.1991 (2) | 0.0983 (14) | |
H29a | −0.0379 | 0.6362 | 0.1774 | 0.118* | |
C30a | −0.0437 (3) | 0.5369 (2) | 0.19930 (16) | 0.0817 (12) | |
H30a | 0.0082 | 0.523 | 0.1775 | 0.098* | |
C31a | −0.0911 (2) | 0.4856 (2) | 0.23160 (13) | 0.0613 (9) | |
C1b | −0.4132 (3) | 0.6551 (2) | 0.37783 (16) | 0.0750 (11) | |
H1b | −0.4624 | 0.6594 | 0.3523 | 0.09* | |
C2b | −0.3619 (4) | 0.7133 (2) | 0.3932 (2) | 0.1000 (15) | |
H2b | −0.3776 | 0.7565 | 0.3786 | 0.12* | |
C3b | −0.2871 (4) | 0.7087 (3) | 0.4302 (2) | 0.1142 (18) | |
H3b | −0.2526 | 0.7488 | 0.4399 | 0.137* | |
C4b | −0.2634 (3) | 0.6471 (3) | 0.45236 (19) | 0.0986 (15) | |
H4b | −0.2127 | 0.645 | 0.4772 | 0.118* | |
C5b | −0.3153 (3) | 0.5845 (2) | 0.43821 (15) | 0.0679 (10) | |
C6b | −0.2927 (3) | 0.5213 (3) | 0.46072 (16) | 0.0844 (13) | |
H6b | −0.2407 | 0.5188 | 0.4848 | 0.101* | |
C7b | −0.3447 (3) | 0.4614 (2) | 0.44873 (15) | 0.0721 (11) | |
C8b | −0.3226 (4) | 0.3966 (3) | 0.4727 (2) | 0.1066 (16) | |
H8b | −0.2711 | 0.3943 | 0.4971 | 0.128* | |
C9b | −0.3733 (5) | 0.3381 (3) | 0.4616 (2) | 0.121 (2) | |
H9b | −0.3574 | 0.2964 | 0.4785 | 0.145* | |
C10b | −0.4505 (4) | 0.3399 (3) | 0.4243 (2) | 0.1137 (19) | |
H10b | −0.4853 | 0.2991 | 0.4167 | 0.136* | |
C11b | −0.4752 (3) | 0.4005 (2) | 0.39902 (18) | 0.0822 (12) | |
H11b | −0.5264 | 0.4007 | 0.3744 | 0.099* | |
C12b | −0.4228 (3) | 0.4637 (2) | 0.41029 (14) | 0.0624 (9) | |
C13b | −0.4456 (2) | 0.52750 (18) | 0.38519 (12) | 0.0521 (8) | |
C14b | −0.3932 (2) | 0.58780 (19) | 0.40002 (13) | 0.0570 (9) | |
C15b | −0.5245 (2) | 0.5289 (2) | 0.34326 (13) | 0.0614 (9) | |
H15c | −0.5175 | 0.4875 | 0.3214 | 0.074* | |
H15d | −0.5135 | 0.5693 | 0.3208 | 0.074* | |
C16b | −0.6308 (2) | 0.53173 (19) | 0.36429 (12) | 0.0567 (8) | |
H16c | −0.6396 | 0.4957 | 0.3909 | 0.068* | |
H16d | −0.6421 | 0.5767 | 0.381 | 0.068* | |
C17b | −0.7069 (2) | 0.52122 (19) | 0.32017 (12) | 0.0601 (9) | |
H17c | −0.7093 | 0.5631 | 0.2986 | 0.072* | |
H17d | −0.6853 | 0.4829 | 0.2978 | 0.072* | |
C18b | −0.8101 (2) | 0.50550 (18) | 0.34059 (12) | 0.0531 (8) | |
C19b | −0.8359 (2) | 0.43663 (18) | 0.35291 (12) | 0.0564 (9) | |
C20b | −0.7685 (3) | 0.3788 (2) | 0.34762 (14) | 0.0724 (10) | |
H20b | −0.7044 | 0.3869 | 0.3354 | 0.087* | |
C21b | −0.7963 (4) | 0.3130 (2) | 0.36009 (18) | 0.0941 (13) | |
H21b | −0.7513 | 0.2766 | 0.3561 | 0.113* | |
C22b | −0.8916 (5) | 0.2988 (3) | 0.37892 (19) | 0.1055 (16) | |
H22b | −0.9094 | 0.2531 | 0.3874 | 0.127* | |
C23b | −0.9577 (4) | 0.3510 (3) | 0.38490 (16) | 0.0919 (13) | |
H23b | −1.0207 | 0.3409 | 0.3978 | 0.11* | |
C24b | −0.9332 (3) | 0.4215 (2) | 0.37188 (13) | 0.0640 (10) | |
C25b | −1.0010 (3) | 0.4754 (2) | 0.37738 (13) | 0.0705 (11) | |
H25b | −1.065 | 0.4651 | 0.3886 | 0.085* | |
C26b | −0.9764 (3) | 0.5440 (2) | 0.36674 (13) | 0.0606 (9) | |
C27b | −1.0456 (3) | 0.6001 (3) | 0.37440 (15) | 0.0820 (12) | |
H27b | −1.1101 | 0.5898 | 0.3847 | 0.098* | |
C28b | −1.0198 (4) | 0.6668 (3) | 0.36711 (18) | 0.0947 (14) | |
H28b | −1.0656 | 0.7023 | 0.373 | 0.114* | |
C29b | −0.9233 (4) | 0.6828 (2) | 0.35052 (17) | 0.0917 (13) | |
H29b | −0.9049 | 0.7294 | 0.3462 | 0.11* | |
C30b | −0.8564 (3) | 0.6317 (2) | 0.34072 (15) | 0.0750 (11) | |
H30b | −0.7937 | 0.644 | 0.3285 | 0.09* | |
C31b | −0.8789 (3) | 0.55987 (19) | 0.34847 (12) | 0.0573 (9) | |
C1c | 0.5307 (3) | 0.5831 (2) | 0.02686 (15) | 0.0685 (10) | |
H1c | 0.4826 | 0.5717 | 0.0019 | 0.082* | |
C2c | 0.5558 (3) | 0.6510 (2) | 0.03419 (18) | 0.0846 (12) | |
H2c | 0.5239 | 0.6855 | 0.0146 | 0.101* | |
C3c | 0.6287 (3) | 0.6699 (2) | 0.07063 (19) | 0.0867 (13) | |
H3c | 0.6448 | 0.7168 | 0.0753 | 0.104* | |
C4c | 0.6758 (3) | 0.6204 (2) | 0.09914 (16) | 0.0766 (11) | |
H4c | 0.7246 | 0.6336 | 0.1231 | 0.092* | |
C5c | 0.6519 (2) | 0.54854 (19) | 0.09302 (13) | 0.0597 (9) | |
C6c | 0.6983 (3) | 0.4970 (2) | 0.12245 (14) | 0.0656 (10) | |
H6c | 0.7483 | 0.5097 | 0.1459 | 0.079* | |
C7c | 0.6730 (2) | 0.42731 (19) | 0.11809 (13) | 0.0600 (9) | |
C8c | 0.7203 (3) | 0.3758 (2) | 0.14946 (17) | 0.0801 (11) | |
H8c | 0.7701 | 0.3893 | 0.1728 | 0.096* | |
C9c | 0.6950 (3) | 0.3081 (2) | 0.14639 (19) | 0.0953 (14) | |
H9c | 0.7268 | 0.2753 | 0.1677 | 0.114* | |
C10c | 0.6203 (3) | 0.2864 (2) | 0.11093 (19) | 0.0927 (13) | |
H10c | 0.6039 | 0.2392 | 0.1083 | 0.111* | |
C11c | 0.5722 (3) | 0.3345 (2) | 0.08049 (16) | 0.0759 (11) | |
H11c | 0.5217 | 0.3196 | 0.0581 | 0.091* | |
C12c | 0.5970 (2) | 0.40649 (18) | 0.08204 (13) | 0.0563 (9) | |
C13c | 0.5499 (2) | 0.45740 (19) | 0.05031 (12) | 0.0533 (8) | |
C14c | 0.5765 (2) | 0.52865 (19) | 0.05652 (13) | 0.0568 (9) | |
C15c | 0.4699 (2) | 0.4377 (2) | 0.01102 (13) | 0.0618 (9) | |
H15e | 0.4783 | 0.389 | 0.0013 | 0.074* | |
H15f | 0.4786 | 0.4656 | −0.0207 | 0.074* | |
C16c | 0.3645 (2) | 0.44831 (19) | 0.03162 (12) | 0.0561 (9) | |
H16e | 0.3492 | 0.4116 | 0.0568 | 0.067* | |
H16f | 0.3611 | 0.4926 | 0.0502 | 0.067* | |
C17c | 0.2869 (2) | 0.4477 (2) | −0.01217 (13) | 0.0687 (10) | |
H17e | 0.3085 | 0.4782 | −0.0406 | 0.082* | |
H17f | 0.2812 | 0.4007 | −0.0263 | 0.082* | |
C18c | 0.1864 (2) | 0.47158 (19) | 0.00730 (12) | 0.0533 (8) | |
C19c | 0.1114 (3) | 0.42385 (18) | 0.02068 (13) | 0.0550 (9) | |
C20c | 0.1198 (3) | 0.3503 (2) | 0.01235 (15) | 0.0772 (11) | |
H20c | 0.1774 | 0.3324 | −0.0027 | 0.093* | |
C21c | 0.0455 (4) | 0.3061 (2) | 0.0259 (2) | 0.1033 (16) | |
H21c | 0.0537 | 0.2584 | 0.0203 | 0.124* | |
C22c | −0.0429 (4) | 0.3302 (3) | 0.0478 (2) | 0.1087 (18) | |
H22c | −0.093 | 0.2988 | 0.0567 | 0.13* | |
C23c | −0.0550 (3) | 0.3987 (3) | 0.05604 (16) | 0.0894 (13) | |
H23c | −0.1144 | 0.4147 | 0.0704 | 0.107* | |
C24c | 0.0208 (3) | 0.4479 (2) | 0.04331 (13) | 0.0634 (10) | |
C25c | 0.0091 (3) | 0.5189 (2) | 0.05316 (14) | 0.0757 (12) | |
H25c | −0.0491 | 0.5345 | 0.069 | 0.091* | |
C26c | 0.0814 (3) | 0.5669 (2) | 0.04001 (15) | 0.0706 (11) | |
C27c | 0.0685 (4) | 0.6401 (3) | 0.05033 (18) | 0.1035 (16) | |
H27c | 0.011 | 0.6557 | 0.0668 | 0.124* | |
C28c | 0.1396 (6) | 0.6866 (3) | 0.0363 (2) | 0.130 (3) | |
H28c | 0.1324 | 0.7337 | 0.0447 | 0.156* | |
C29c | 0.2243 (5) | 0.6636 (3) | 0.0090 (2) | 0.123 (2) | |
H29c | 0.2706 | 0.6962 | −0.0027 | 0.148* | |
C30c | 0.2394 (3) | 0.5958 (3) | −0.00049 (16) | 0.0860 (13) | |
H30c | 0.2971 | 0.5821 | −0.0179 | 0.103* | |
C31c | 0.1700 (3) | 0.54366 (19) | 0.01523 (13) | 0.0604 (9) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1a | 0.086 (3) | 0.081 (3) | 0.057 (2) | 0.015 (2) | 0.004 (2) | −0.008 (2) |
C2a | 0.125 (4) | 0.080 (3) | 0.072 (3) | 0.019 (3) | 0.003 (3) | −0.007 (2) |
C3a | 0.146 (5) | 0.069 (3) | 0.085 (3) | −0.007 (3) | 0.026 (3) | −0.007 (3) |
C4a | 0.093 (3) | 0.096 (3) | 0.075 (3) | −0.024 (3) | 0.025 (3) | −0.022 (3) |
C5a | 0.067 (3) | 0.086 (3) | 0.047 (2) | 0.005 (2) | 0.0152 (19) | −0.0148 (19) |
C6a | 0.052 (2) | 0.115 (4) | 0.058 (2) | −0.007 (2) | 0.010 (2) | −0.021 (2) |
C7a | 0.046 (2) | 0.101 (3) | 0.057 (2) | 0.013 (2) | −0.0027 (18) | −0.009 (2) |
C8a | 0.070 (3) | 0.156 (5) | 0.088 (3) | 0.028 (4) | −0.015 (3) | 0.011 (3) |
C9a | 0.112 (5) | 0.155 (6) | 0.117 (4) | 0.057 (4) | −0.017 (4) | 0.029 (4) |
C10a | 0.127 (5) | 0.107 (4) | 0.106 (4) | 0.028 (4) | 0.005 (4) | 0.025 (3) |
C11a | 0.081 (3) | 0.098 (3) | 0.082 (3) | 0.011 (3) | 0.003 (2) | 0.013 (3) |
C12a | 0.058 (2) | 0.075 (3) | 0.054 (2) | 0.010 (2) | 0.0082 (18) | −0.0005 (19) |
C13a | 0.048 (2) | 0.071 (2) | 0.0489 (19) | 0.0046 (19) | 0.0092 (16) | −0.0087 (18) |
C14a | 0.051 (2) | 0.076 (3) | 0.0429 (18) | 0.013 (2) | 0.0056 (16) | −0.0084 (18) |
C15a | 0.055 (2) | 0.081 (2) | 0.061 (2) | −0.001 (2) | 0.0024 (19) | −0.0095 (19) |
C16a | 0.0474 (19) | 0.089 (3) | 0.0530 (19) | 0.0043 (19) | −0.0044 (17) | −0.0066 (19) |
C17a | 0.049 (2) | 0.097 (3) | 0.056 (2) | 0.001 (2) | −0.0010 (18) | −0.009 (2) |
C18a | 0.0411 (19) | 0.088 (3) | 0.051 (2) | 0.001 (2) | −0.0084 (17) | −0.0062 (19) |
C19a | 0.0411 (19) | 0.079 (3) | 0.0522 (19) | 0.0009 (19) | −0.0106 (17) | −0.0064 (19) |
C20a | 0.065 (3) | 0.085 (3) | 0.080 (3) | 0.008 (2) | −0.005 (2) | −0.007 (2) |
C21a | 0.087 (3) | 0.077 (3) | 0.112 (4) | 0.001 (3) | −0.018 (3) | 0.011 (3) |
C22a | 0.067 (3) | 0.109 (4) | 0.108 (4) | −0.008 (3) | 0.001 (3) | 0.023 (3) |
C23a | 0.054 (2) | 0.101 (3) | 0.085 (3) | 0.000 (2) | 0.002 (2) | 0.008 (3) |
C24a | 0.0421 (19) | 0.082 (3) | 0.062 (2) | −0.001 (2) | −0.0005 (18) | −0.002 (2) |
C25a | 0.050 (2) | 0.090 (3) | 0.066 (2) | 0.009 (2) | 0.0045 (19) | −0.007 (2) |
C26a | 0.055 (2) | 0.079 (3) | 0.062 (2) | 0.007 (2) | −0.0088 (19) | −0.006 (2) |
C27a | 0.094 (3) | 0.093 (3) | 0.081 (3) | 0.016 (3) | −0.011 (3) | −0.008 (3) |
C28a | 0.128 (4) | 0.080 (3) | 0.103 (4) | 0.003 (3) | −0.018 (4) | 0.001 (3) |
C29a | 0.095 (4) | 0.095 (4) | 0.105 (4) | −0.012 (3) | −0.013 (3) | 0.017 (3) |
C30a | 0.067 (3) | 0.103 (3) | 0.076 (3) | −0.007 (3) | −0.006 (2) | 0.006 (3) |
C31a | 0.048 (2) | 0.083 (3) | 0.053 (2) | −0.004 (2) | −0.0107 (17) | 0.001 (2) |
C1b | 0.072 (3) | 0.076 (3) | 0.078 (3) | −0.002 (2) | 0.012 (2) | 0.001 (2) |
C2b | 0.099 (4) | 0.085 (3) | 0.117 (4) | −0.014 (3) | 0.030 (3) | −0.011 (3) |
C3b | 0.097 (4) | 0.116 (4) | 0.130 (5) | −0.033 (4) | 0.031 (4) | −0.039 (4) |
C4b | 0.057 (3) | 0.144 (5) | 0.095 (3) | −0.026 (3) | 0.003 (2) | −0.039 (4) |
C5b | 0.040 (2) | 0.101 (3) | 0.063 (2) | 0.001 (2) | 0.0034 (18) | −0.012 (2) |
C6b | 0.048 (2) | 0.135 (4) | 0.070 (3) | 0.013 (3) | −0.004 (2) | −0.011 (3) |
C7b | 0.059 (2) | 0.095 (3) | 0.063 (2) | 0.025 (2) | 0.010 (2) | 0.015 (2) |
C8b | 0.096 (4) | 0.128 (4) | 0.096 (3) | 0.039 (4) | 0.020 (3) | 0.033 (3) |
C9b | 0.118 (5) | 0.104 (4) | 0.141 (5) | 0.056 (4) | 0.045 (4) | 0.051 (4) |
C10b | 0.099 (4) | 0.073 (3) | 0.169 (6) | 0.006 (3) | 0.056 (4) | 0.019 (3) |
C11b | 0.061 (2) | 0.079 (3) | 0.107 (3) | 0.006 (2) | 0.023 (2) | 0.002 (3) |
C12b | 0.047 (2) | 0.073 (3) | 0.068 (2) | 0.006 (2) | 0.0162 (19) | 0.005 (2) |
C13b | 0.0377 (17) | 0.069 (2) | 0.0491 (19) | 0.0038 (17) | 0.0057 (15) | −0.0029 (17) |
C14b | 0.0417 (19) | 0.075 (3) | 0.055 (2) | 0.0010 (18) | 0.0107 (17) | −0.0043 (19) |
C15b | 0.0491 (19) | 0.083 (2) | 0.0519 (19) | 0.0000 (19) | 0.0069 (17) | −0.0057 (18) |
C16b | 0.0444 (18) | 0.075 (2) | 0.0505 (18) | 0.0031 (17) | −0.0029 (16) | −0.0051 (18) |
C17b | 0.050 (2) | 0.080 (2) | 0.0500 (19) | 0.0037 (19) | 0.0012 (17) | −0.0027 (18) |
C18b | 0.0481 (19) | 0.074 (2) | 0.0370 (16) | −0.0010 (18) | −0.0056 (15) | −0.0055 (16) |
C19b | 0.054 (2) | 0.069 (2) | 0.0466 (18) | −0.0014 (18) | −0.0108 (17) | −0.0124 (17) |
C20b | 0.079 (3) | 0.079 (3) | 0.059 (2) | 0.005 (2) | −0.012 (2) | −0.007 (2) |
C21b | 0.121 (4) | 0.077 (3) | 0.084 (3) | 0.008 (3) | −0.022 (3) | −0.008 (3) |
C22b | 0.143 (5) | 0.075 (3) | 0.098 (4) | −0.026 (4) | −0.014 (4) | −0.002 (3) |
C23b | 0.092 (3) | 0.101 (4) | 0.083 (3) | −0.030 (3) | −0.006 (3) | −0.011 (3) |
C24b | 0.066 (2) | 0.070 (3) | 0.056 (2) | −0.020 (2) | −0.0119 (19) | −0.0049 (19) |
C25b | 0.047 (2) | 0.107 (3) | 0.058 (2) | −0.014 (2) | −0.0035 (18) | −0.013 (2) |
C26b | 0.050 (2) | 0.084 (3) | 0.0477 (19) | 0.000 (2) | −0.0068 (17) | −0.0064 (19) |
C27b | 0.054 (2) | 0.123 (4) | 0.069 (2) | 0.018 (3) | −0.008 (2) | −0.017 (3) |
C28b | 0.086 (3) | 0.102 (4) | 0.096 (3) | 0.031 (3) | −0.014 (3) | −0.007 (3) |
C29b | 0.097 (3) | 0.080 (3) | 0.097 (3) | 0.018 (3) | −0.007 (3) | 0.009 (2) |
C30b | 0.066 (2) | 0.079 (3) | 0.079 (3) | 0.002 (2) | −0.005 (2) | 0.009 (2) |
C31b | 0.051 (2) | 0.076 (3) | 0.0446 (18) | 0.0025 (19) | −0.0095 (17) | −0.0008 (18) |
C1c | 0.059 (2) | 0.083 (3) | 0.064 (2) | −0.001 (2) | 0.0000 (19) | 0.007 (2) |
C2c | 0.083 (3) | 0.074 (3) | 0.097 (3) | 0.008 (2) | 0.002 (3) | 0.012 (2) |
C3c | 0.089 (3) | 0.066 (3) | 0.106 (3) | −0.005 (3) | 0.010 (3) | −0.004 (3) |
C4c | 0.069 (3) | 0.080 (3) | 0.080 (3) | −0.014 (2) | 0.005 (2) | −0.013 (2) |
C5c | 0.049 (2) | 0.068 (2) | 0.061 (2) | −0.0008 (18) | 0.0023 (18) | −0.0073 (19) |
C6c | 0.0449 (19) | 0.083 (3) | 0.069 (2) | −0.007 (2) | −0.0052 (19) | −0.006 (2) |
C7c | 0.041 (2) | 0.076 (3) | 0.063 (2) | 0.0028 (19) | 0.0003 (17) | 0.0018 (19) |
C8c | 0.054 (2) | 0.090 (3) | 0.096 (3) | 0.000 (2) | −0.013 (2) | 0.009 (3) |
C9c | 0.061 (3) | 0.101 (4) | 0.123 (4) | 0.012 (3) | −0.013 (3) | 0.024 (3) |
C10c | 0.085 (3) | 0.065 (3) | 0.129 (4) | 0.003 (3) | 0.004 (3) | 0.010 (3) |
C11c | 0.065 (2) | 0.074 (3) | 0.089 (3) | −0.003 (2) | −0.002 (2) | −0.005 (2) |
C12c | 0.0420 (19) | 0.068 (2) | 0.059 (2) | 0.0035 (18) | 0.0050 (17) | −0.0089 (18) |
C13c | 0.0398 (18) | 0.073 (2) | 0.0468 (18) | 0.0018 (18) | 0.0051 (15) | −0.0086 (18) |
C14c | 0.0469 (19) | 0.071 (2) | 0.0525 (19) | 0.0016 (19) | 0.0082 (17) | −0.0027 (18) |
C15c | 0.053 (2) | 0.081 (2) | 0.0522 (19) | −0.0016 (18) | 0.0018 (17) | −0.0148 (19) |
C16c | 0.050 (2) | 0.071 (2) | 0.0473 (18) | 0.0005 (17) | −0.0022 (16) | −0.0048 (17) |
C17c | 0.052 (2) | 0.097 (3) | 0.057 (2) | 0.002 (2) | −0.0083 (18) | −0.008 (2) |
C18c | 0.048 (2) | 0.071 (2) | 0.0407 (17) | 0.0017 (19) | −0.0109 (16) | 0.0006 (16) |
C19c | 0.055 (2) | 0.059 (2) | 0.0513 (19) | 0.0037 (18) | −0.0142 (17) | −0.0002 (17) |
C20c | 0.083 (3) | 0.073 (3) | 0.075 (3) | 0.001 (2) | −0.019 (2) | −0.004 (2) |
C21c | 0.126 (4) | 0.075 (3) | 0.109 (4) | −0.027 (3) | −0.035 (4) | 0.009 (3) |
C22c | 0.100 (4) | 0.125 (5) | 0.101 (4) | −0.046 (4) | −0.033 (3) | 0.038 (3) |
C23c | 0.058 (3) | 0.139 (4) | 0.071 (3) | −0.018 (3) | −0.012 (2) | 0.026 (3) |
C24c | 0.052 (2) | 0.086 (3) | 0.053 (2) | 0.002 (2) | −0.0090 (18) | 0.006 (2) |
C25c | 0.056 (2) | 0.111 (4) | 0.060 (2) | 0.025 (3) | −0.003 (2) | −0.003 (2) |
C26c | 0.076 (3) | 0.075 (3) | 0.061 (2) | 0.017 (2) | −0.024 (2) | −0.003 (2) |
C27c | 0.131 (4) | 0.082 (3) | 0.097 (3) | 0.037 (3) | −0.037 (3) | −0.012 (3) |
C28c | 0.205 (8) | 0.058 (3) | 0.126 (5) | 0.016 (4) | −0.079 (5) | −0.007 (3) |
C29c | 0.172 (6) | 0.073 (4) | 0.125 (5) | −0.031 (4) | −0.069 (5) | 0.029 (3) |
C30c | 0.091 (3) | 0.087 (3) | 0.080 (3) | −0.015 (3) | −0.025 (2) | 0.017 (3) |
C31c | 0.067 (2) | 0.063 (2) | 0.051 (2) | −0.003 (2) | −0.0191 (18) | 0.0059 (18) |
C1a—C2a | 1.342 (5) | C16b—H16c | 0.97 |
C1a—C14a | 1.426 (5) | C16b—H16d | 0.97 |
C1a—H1a | 0.93 | C17b—C18b | 1.514 (4) |
C2a—C3a | 1.390 (6) | C17b—H17c | 0.97 |
C2a—H2a | 0.93 | C17b—H17d | 0.97 |
C3a—C4a | 1.357 (6) | C18b—C19b | 1.397 (4) |
C3a—H3a | 0.93 | C18b—C31b | 1.407 (4) |
C4a—C5a | 1.438 (5) | C19b—C24b | 1.426 (5) |
C4a—H4a | 0.93 | C19b—C20b | 1.437 (5) |
C5a—C6a | 1.379 (5) | C20b—C21b | 1.351 (5) |
C5a—C14a | 1.428 (5) | C20b—H20b | 0.93 |
C6a—C7a | 1.381 (5) | C21b—C22b | 1.396 (6) |
C6a—H6a | 0.93 | C21b—H21b | 0.93 |
C7a—C8a | 1.410 (6) | C22b—C23b | 1.347 (6) |
C7a—C12a | 1.433 (5) | C22b—H22b | 0.93 |
C8a—C9a | 1.337 (7) | C23b—C24b | 1.426 (5) |
C8a—H8a | 0.93 | C23b—H23b | 0.93 |
C9a—C10a | 1.391 (7) | C24b—C25b | 1.385 (5) |
C9a—H9a | 0.93 | C25b—C26b | 1.378 (5) |
C10a—C11a | 1.364 (6) | C25b—H25b | 0.93 |
C10a—H10a | 0.93 | C26b—C31b | 1.426 (5) |
C11a—C12a | 1.424 (5) | C26b—C27b | 1.434 (5) |
C11a—H11a | 0.93 | C27b—C28b | 1.333 (6) |
C12a—C13a | 1.402 (4) | C27b—H27b | 0.93 |
C13a—C14a | 1.399 (5) | C28b—C29b | 1.401 (6) |
C13a—C15a | 1.513 (4) | C28b—H28b | 0.93 |
C15a—C16a | 1.535 (4) | C29b—C30b | 1.352 (5) |
C15a—H15a | 0.97 | C29b—H29b | 0.93 |
C15a—H15b | 0.97 | C30b—C31b | 1.420 (5) |
C16a—C17a | 1.509 (4) | C30b—H30b | 0.93 |
C16a—H16a | 0.97 | C1c—C2c | 1.355 (5) |
C16a—H16b | 0.97 | C1c—C14c | 1.423 (5) |
C17a—C18a | 1.510 (4) | C1c—H1c | 0.93 |
C17a—H17a | 0.97 | C2c—C3c | 1.395 (6) |
C17a—H17b | 0.97 | C2c—H2c | 0.93 |
C18a—C31a | 1.398 (5) | C3c—C4c | 1.348 (5) |
C18a—C19a | 1.401 (5) | C3c—H3c | 0.93 |
C19a—C24a | 1.429 (4) | C4c—C5c | 1.420 (5) |
C19a—C20a | 1.433 (5) | C4c—H4c | 0.93 |
C20a—C21a | 1.364 (5) | C5c—C6c | 1.385 (5) |
C20a—H20a | 0.93 | C5c—C14c | 1.425 (4) |
C21a—C22a | 1.401 (6) | C6c—C7c | 1.379 (5) |
C21a—H21a | 0.93 | C6c—H6c | 0.93 |
C22a—C23a | 1.336 (5) | C7c—C8c | 1.416 (5) |
C22a—H22a | 0.93 | C7c—C12c | 1.428 (4) |
C23a—C24a | 1.419 (5) | C8c—C9c | 1.341 (5) |
C23a—H23a | 0.93 | C8c—H8c | 0.93 |
C24a—C25a | 1.382 (5) | C9c—C10c | 1.411 (6) |
C25a—C26a | 1.385 (5) | C9c—H9c | 0.93 |
C25a—H25a | 0.93 | C10c—C11c | 1.364 (5) |
C26a—C31a | 1.431 (5) | C10c—H10c | 0.93 |
C26a—C27a | 1.435 (5) | C11c—C12c | 1.417 (5) |
C27a—C28a | 1.347 (6) | C11c—H11c | 0.93 |
C27a—H27a | 0.93 | C12c—C13c | 1.412 (4) |
C28a—C29a | 1.406 (6) | C13c—C14c | 1.417 (5) |
C28a—H28a | 0.93 | C13c—C15c | 1.514 (4) |
C29a—C30a | 1.346 (5) | C15c—C16c | 1.527 (4) |
C29a—H29a | 0.93 | C15c—H15e | 0.97 |
C30a—C31a | 1.428 (5) | C15c—H15f | 0.97 |
C30a—H30a | 0.93 | C16c—C17c | 1.523 (4) |
C1b—C2b | 1.366 (5) | C16c—H16e | 0.97 |
C1b—C14b | 1.430 (5) | C16c—H16f | 0.97 |
C1b—H1b | 0.93 | C17c—C18c | 1.512 (4) |
C2b—C3b | 1.377 (7) | C17c—H17e | 0.97 |
C2b—H2b | 0.93 | C17c—H17f | 0.97 |
C3b—C4b | 1.344 (7) | C18c—C19c | 1.403 (4) |
C3b—H3b | 0.93 | C18c—C31c | 1.410 (5) |
C4b—C5b | 1.431 (6) | C19c—C24c | 1.425 (5) |
C4b—H4b | 0.93 | C19c—C20c | 1.426 (5) |
C5b—C6b | 1.370 (5) | C20c—C21c | 1.355 (6) |
C5b—C14b | 1.428 (5) | C20c—H20c | 0.93 |
C6b—C7b | 1.376 (5) | C21c—C22c | 1.392 (7) |
C6b—H6b | 0.93 | C21c—H21c | 0.93 |
C7b—C8b | 1.412 (6) | C22c—C23c | 1.338 (6) |
C7b—C12b | 1.434 (5) | C22c—H22c | 0.93 |
C8b—C9b | 1.340 (7) | C23c—C24c | 1.425 (5) |
C8b—H8b | 0.93 | C23c—H23c | 0.93 |
C9b—C10b | 1.405 (7) | C24c—C25c | 1.390 (5) |
C9b—H9b | 0.93 | C25c—C26c | 1.379 (5) |
C10b—C11b | 1.365 (6) | C25c—H25c | 0.93 |
C10b—H10b | 0.93 | C26c—C31c | 1.420 (5) |
C11b—C12b | 1.427 (5) | C26c—C27c | 1.433 (6) |
C11b—H11b | 0.93 | C27c—C28c | 1.355 (7) |
C12b—C13b | 1.410 (5) | C27c—H27c | 0.93 |
C13b—C14b | 1.403 (4) | C28c—C29c | 1.405 (8) |
C13b—C15b | 1.503 (4) | C28c—H28c | 0.93 |
C15b—C16b | 1.529 (4) | C29c—C30c | 1.335 (6) |
C15b—H15c | 0.97 | C29c—H29c | 0.93 |
C15b—H15d | 0.97 | C30c—C31c | 1.423 (5) |
C16b—C17b | 1.529 (4) | C30c—H30c | 0.93 |
C2a—C1a—C14a | 122.6 (4) | C17b—C16b—H16d | 109.3 |
C2a—C1a—H1a | 118.7 | C15b—C16b—H16d | 109.3 |
C14a—C1a—H1a | 118.7 | H16c—C16b—H16d | 107.9 |
C1a—C2a—C3a | 120.6 (4) | C18b—C17b—C16b | 113.2 (3) |
C1a—C2a—H2a | 119.7 | C18b—C17b—H17c | 108.9 |
C3a—C2a—H2a | 119.7 | C16b—C17b—H17c | 108.9 |
C4a—C3a—C2a | 120.9 (4) | C18b—C17b—H17d | 108.9 |
C4a—C3a—H3a | 119.5 | C16b—C17b—H17d | 108.9 |
C2a—C3a—H3a | 119.5 | H17c—C17b—H17d | 107.8 |
C3a—C4a—C5a | 119.9 (4) | C19b—C18b—C31b | 120.0 (3) |
C3a—C4a—H4a | 120.1 | C19b—C18b—C17b | 119.4 (3) |
C5a—C4a—H4a | 120.1 | C31b—C18b—C17b | 120.5 (3) |
C6a—C5a—C14a | 118.9 (4) | C18b—C19b—C24b | 119.7 (3) |
C6a—C5a—C4a | 121.6 (4) | C18b—C19b—C20b | 123.1 (3) |
C14a—C5a—C4a | 119.5 (4) | C24b—C19b—C20b | 117.2 (3) |
C5a—C6a—C7a | 122.4 (4) | C21b—C20b—C19b | 121.2 (4) |
C5a—C6a—H6a | 118.8 | C21b—C20b—H20b | 119.4 |
C7a—C6a—H6a | 118.8 | C19b—C20b—H20b | 119.4 |
C6a—C7a—C8a | 122.7 (4) | C20b—C21b—C22b | 121.1 (5) |
C6a—C7a—C12a | 118.7 (4) | C20b—C21b—H21b | 119.4 |
C8a—C7a—C12a | 118.6 (4) | C22b—C21b—H21b | 119.4 |
C9a—C8a—C7a | 121.7 (5) | C23b—C22b—C21b | 120.2 (4) |
C9a—C8a—H8a | 119.1 | C23b—C22b—H22b | 119.9 |
C7a—C8a—H8a | 119.1 | C21b—C22b—H22b | 119.9 |
C8a—C9a—C10a | 120.5 (5) | C22b—C23b—C24b | 121.4 (4) |
C8a—C9a—H9a | 119.7 | C22b—C23b—H23b | 119.3 |
C10a—C9a—H9a | 119.7 | C24b—C23b—H23b | 119.3 |
C11a—C10a—C9a | 120.9 (5) | C25b—C24b—C23b | 121.8 (4) |
C11a—C10a—H10a | 119.6 | C25b—C24b—C19b | 119.3 (3) |
C9a—C10a—H10a | 119.6 | C23b—C24b—C19b | 118.9 (4) |
C10a—C11a—C12a | 120.6 (4) | C26b—C25b—C24b | 122.0 (3) |
C10a—C11a—H11a | 119.7 | C26b—C25b—H25b | 119 |
C12a—C11a—H11a | 119.7 | C24b—C25b—H25b | 119 |
C13a—C12a—C11a | 122.1 (3) | C25b—C26b—C31b | 119.1 (3) |
C13a—C12a—C7a | 120.2 (3) | C25b—C26b—C27b | 121.9 (4) |
C11a—C12a—C7a | 117.7 (4) | C31b—C26b—C27b | 118.9 (4) |
C14a—C13a—C12a | 119.4 (3) | C28b—C27b—C26b | 121.8 (4) |
C14a—C13a—C15a | 118.3 (3) | C28b—C27b—H27b | 119.1 |
C12a—C13a—C15a | 122.3 (3) | C26b—C27b—H27b | 119.1 |
C13a—C14a—C1a | 123.2 (3) | C27b—C28b—C29b | 119.5 (4) |
C13a—C14a—C5a | 120.4 (3) | C27b—C28b—H28b | 120.2 |
C1a—C14a—C5a | 116.4 (4) | C29b—C28b—H28b | 120.2 |
C13a—C15a—C16a | 112.6 (3) | C30b—C29b—C28b | 121.0 (4) |
C13a—C15a—H15a | 109.1 | C30b—C29b—H29b | 119.5 |
C16a—C15a—H15a | 109.1 | C28b—C29b—H29b | 119.5 |
C13a—C15a—H15b | 109.1 | C29b—C30b—C31b | 122.1 (4) |
C16a—C15a—H15b | 109.1 | C29b—C30b—H30b | 119 |
H15a—C15a—H15b | 107.8 | C31b—C30b—H30b | 119 |
C17a—C16a—C15a | 112.1 (3) | C18b—C31b—C30b | 123.6 (3) |
C17a—C16a—H16a | 109.2 | C18b—C31b—C26b | 119.8 (3) |
C15a—C16a—H16a | 109.2 | C30b—C31b—C26b | 116.6 (3) |
C17a—C16a—H16b | 109.2 | C2c—C1c—C14c | 121.4 (4) |
C15a—C16a—H16b | 109.2 | C2c—C1c—H1c | 119.3 |
H16a—C16a—H16b | 107.9 | C14c—C1c—H1c | 119.3 |
C16a—C17a—C18a | 114.5 (3) | C1c—C2c—C3c | 121.0 (4) |
C16a—C17a—H17a | 108.6 | C1c—C2c—H2c | 119.5 |
C18a—C17a—H17a | 108.6 | C3c—C2c—H2c | 119.5 |
C16a—C17a—H17b | 108.6 | C4c—C3c—C2c | 120.2 (4) |
C18a—C17a—H17b | 108.6 | C4c—C3c—H3c | 119.9 |
H17a—C17a—H17b | 107.6 | C2c—C3c—H3c | 119.9 |
C31a—C18a—C19a | 119.5 (3) | C3c—C4c—C5c | 120.9 (4) |
C31a—C18a—C17a | 119.9 (3) | C3c—C4c—H4c | 119.5 |
C19a—C18a—C17a | 120.5 (3) | C5c—C4c—H4c | 119.5 |
C18a—C19a—C24a | 120.0 (3) | C6c—C5c—C4c | 121.9 (3) |
C18a—C19a—C20a | 123.3 (4) | C6c—C5c—C14c | 118.7 (3) |
C24a—C19a—C20a | 116.7 (3) | C4c—C5c—C14c | 119.4 (3) |
C21a—C20a—C19a | 121.6 (4) | C7c—C6c—C5c | 122.2 (3) |
C21a—C20a—H20a | 119.2 | C7c—C6c—H6c | 118.9 |
C19a—C20a—H20a | 119.2 | C5c—C6c—H6c | 118.9 |
C20a—C21a—C22a | 120.2 (4) | C6c—C7c—C8c | 121.0 (3) |
C20a—C21a—H21a | 119.9 | C6c—C7c—C12c | 119.9 (3) |
C22a—C21a—H21a | 119.9 | C8c—C7c—C12c | 119.1 (3) |
C23a—C22a—C21a | 120.6 (4) | C9c—C8c—C7c | 121.7 (4) |
C23a—C22a—H22a | 119.7 | C9c—C8c—H8c | 119.2 |
C21a—C22a—H22a | 119.7 | C7c—C8c—H8c | 119.2 |
C22a—C23a—C24a | 121.5 (4) | C8c—C9c—C10c | 120.1 (4) |
C22a—C23a—H23a | 119.3 | C8c—C9c—H9c | 119.9 |
C24a—C23a—H23a | 119.3 | C10c—C9c—H9c | 119.9 |
C25a—C24a—C23a | 121.1 (4) | C11c—C10c—C9c | 120.0 (4) |
C25a—C24a—C19a | 119.5 (3) | C11c—C10c—H10c | 120 |
C23a—C24a—C19a | 119.4 (3) | C9c—C10c—H10c | 120 |
C24a—C25a—C26a | 121.4 (3) | C10c—C11c—C12c | 121.8 (4) |
C24a—C25a—H25a | 119.3 | C10c—C11c—H11c | 119.1 |
C26a—C25a—H25a | 119.3 | C12c—C11c—H11c | 119.1 |
C25a—C26a—C31a | 119.2 (3) | C13c—C12c—C11c | 123.2 (3) |
C25a—C26a—C27a | 121.4 (4) | C13c—C12c—C7c | 119.6 (3) |
C31a—C26a—C27a | 119.4 (4) | C11c—C12c—C7c | 117.2 (3) |
C28a—C27a—C26a | 121.2 (5) | C12c—C13c—C14c | 119.1 (3) |
C28a—C27a—H27a | 119.4 | C12c—C13c—C15c | 121.5 (3) |
C26a—C27a—H27a | 119.4 | C14c—C13c—C15c | 119.4 (3) |
C27a—C28a—C29a | 119.8 (5) | C13c—C14c—C1c | 122.3 (3) |
C27a—C28a—H28a | 120.1 | C13c—C14c—C5c | 120.6 (3) |
C29a—C28a—H28a | 120.1 | C1c—C14c—C5c | 117.1 (3) |
C30a—C29a—C28a | 120.7 (5) | C13c—C15c—C16c | 113.9 (3) |
C30a—C29a—H29a | 119.7 | C13c—C15c—H15e | 108.8 |
C28a—C29a—H29a | 119.7 | C16c—C15c—H15e | 108.8 |
C29a—C30a—C31a | 122.7 (4) | C13c—C15c—H15f | 108.8 |
C29a—C30a—H30a | 118.6 | C16c—C15c—H15f | 108.8 |
C31a—C30a—H30a | 118.6 | H15e—C15c—H15f | 107.7 |
C18a—C31a—C30a | 123.6 (4) | C17c—C16c—C15c | 112.9 (3) |
C18a—C31a—C26a | 120.2 (3) | C17c—C16c—H16e | 109 |
C30a—C31a—C26a | 116.1 (4) | C15c—C16c—H16e | 109 |
C2b—C1b—C14b | 121.6 (4) | C17c—C16c—H16f | 109 |
C2b—C1b—H1b | 119.2 | C15c—C16c—H16f | 109 |
C14b—C1b—H1b | 119.2 | H16e—C16c—H16f | 107.8 |
C1b—C2b—C3b | 120.8 (5) | C18c—C17c—C16c | 112.1 (3) |
C1b—C2b—H2b | 119.6 | C18c—C17c—H17e | 109.2 |
C3b—C2b—H2b | 119.6 | C16c—C17c—H17e | 109.2 |
C4b—C3b—C2b | 120.8 (5) | C18c—C17c—H17f | 109.2 |
C4b—C3b—H3b | 119.6 | C16c—C17c—H17f | 109.2 |
C2b—C3b—H3b | 119.6 | H17e—C17c—H17f | 107.9 |
C3b—C4b—C5b | 120.8 (5) | C19c—C18c—C31c | 119.3 (3) |
C3b—C4b—H4b | 119.6 | C19c—C18c—C17c | 121.8 (3) |
C5b—C4b—H4b | 119.6 | C31c—C18c—C17c | 118.8 (3) |
C6b—C5b—C14b | 119.0 (4) | C18c—C19c—C24c | 120.3 (3) |
C6b—C5b—C4b | 121.6 (4) | C18c—C19c—C20c | 123.2 (4) |
C14b—C5b—C4b | 119.4 (4) | C24c—C19c—C20c | 116.5 (4) |
C5b—C6b—C7b | 121.9 (4) | C21c—C20c—C19c | 121.3 (4) |
C5b—C6b—H6b | 119 | C21c—C20c—H20c | 119.4 |
C7b—C6b—H6b | 119 | C19c—C20c—H20c | 119.4 |
C6b—C7b—C8b | 121.9 (4) | C20c—C21c—C22c | 121.8 (5) |
C6b—C7b—C12b | 119.9 (4) | C20c—C21c—H21c | 119.1 |
C8b—C7b—C12b | 118.1 (4) | C22c—C21c—H21c | 119.1 |
C9b—C8b—C7b | 122.4 (5) | C23c—C22c—C21c | 119.4 (5) |
C9b—C8b—H8b | 118.8 | C23c—C22c—H22c | 120.3 |
C7b—C8b—H8b | 118.8 | C21c—C22c—H22c | 120.3 |
C8b—C9b—C10b | 119.9 (5) | C22c—C23c—C24c | 121.5 (5) |
C8b—C9b—H9b | 120.1 | C22c—C23c—H23c | 119.2 |
C10b—C9b—H9b | 120.1 | C24c—C23c—H23c | 119.2 |
C11b—C10b—C9b | 121.0 (5) | C25c—C24c—C19c | 119.0 (4) |
C11b—C10b—H10b | 119.5 | C25c—C24c—C23c | 121.5 (4) |
C9b—C10b—H10b | 119.5 | C19c—C24c—C23c | 119.5 (4) |
C10b—C11b—C12b | 120.2 (4) | C26c—C25c—C24c | 121.7 (4) |
C10b—C11b—H11b | 119.9 | C26c—C25c—H25c | 119.1 |
C12b—C11b—H11b | 119.9 | C24c—C25c—H25c | 119.1 |
C13b—C12b—C11b | 122.3 (3) | C25c—C26c—C31c | 119.5 (4) |
C13b—C12b—C7b | 119.4 (3) | C25c—C26c—C27c | 121.3 (5) |
C11b—C12b—C7b | 118.3 (4) | C31c—C26c—C27c | 119.2 (4) |
C14b—C13b—C12b | 118.8 (3) | C28c—C27c—C26c | 120.5 (5) |
C14b—C13b—C15b | 122.1 (3) | C28c—C27c—H27c | 119.8 |
C12b—C13b—C15b | 119.2 (3) | C26c—C27c—H27c | 119.8 |
C13b—C14b—C5b | 121.0 (3) | C27c—C28c—C29c | 119.9 (5) |
C13b—C14b—C1b | 122.6 (3) | C27c—C28c—H28c | 120 |
C5b—C14b—C1b | 116.4 (3) | C29c—C28c—H28c | 120 |
C13b—C15b—C16b | 114.7 (3) | C30c—C29c—C28c | 121.1 (6) |
C13b—C15b—H15c | 108.6 | C30c—C29c—H29c | 119.5 |
C16b—C15b—H15c | 108.6 | C28c—C29c—H29c | 119.5 |
C13b—C15b—H15d | 108.6 | C29c—C30c—C31c | 122.0 (5) |
C16b—C15b—H15d | 108.6 | C29c—C30c—H30c | 119 |
H15c—C15b—H15d | 107.6 | C31c—C30c—H30c | 119 |
C17b—C16b—C15b | 111.7 (3) | C18c—C31c—C26c | 120.0 (3) |
C17b—C16b—H16c | 109.3 | C18c—C31c—C30c | 122.8 (4) |
C15b—C16b—H16c | 109.3 | C26c—C31c—C30c | 117.2 (4) |
C14a—C1a—C2a—C3a | 0.4 (6) | C15b—C16b—C17b—C18b | 165.5 (3) |
C1a—C2a—C3a—C4a | −0.7 (7) | C16b—C17b—C18b—C19b | −85.3 (4) |
C2a—C3a—C4a—C5a | 0.6 (6) | C16b—C17b—C18b—C31b | 93.0 (4) |
C3a—C4a—C5a—C6a | −179.9 (4) | C31b—C18b—C19b—C24b | 2.0 (4) |
C3a—C4a—C5a—C14a | 0.0 (5) | C17b—C18b—C19b—C24b | −179.7 (3) |
C14a—C5a—C6a—C7a | −2.1 (5) | C31b—C18b—C19b—C20b | −177.8 (3) |
C4a—C5a—C6a—C7a | 177.8 (3) | C17b—C18b—C19b—C20b | 0.5 (4) |
C5a—C6a—C7a—C8a | −178.3 (4) | C18b—C19b—C20b—C21b | 179.9 (4) |
C5a—C6a—C7a—C12a | 1.3 (5) | C24b—C19b—C20b—C21b | 0.0 (5) |
C6a—C7a—C8a—C9a | 179.0 (5) | C19b—C20b—C21b—C22b | −0.4 (6) |
C12a—C7a—C8a—C9a | −0.6 (7) | C20b—C21b—C22b—C23b | 0.1 (7) |
C7a—C8a—C9a—C10a | −1.3 (9) | C21b—C22b—C23b—C24b | 0.6 (7) |
C8a—C9a—C10a—C11a | 2.1 (9) | C22b—C23b—C24b—C25b | 179.3 (4) |
C9a—C10a—C11a—C12a | −0.8 (7) | C22b—C23b—C24b—C19b | −0.9 (6) |
C10a—C11a—C12a—C13a | 179.6 (4) | C18b—C19b—C24b—C25b | 0.5 (5) |
C10a—C11a—C12a—C7a | −1.1 (6) | C20b—C19b—C24b—C25b | −179.6 (3) |
C6a—C7a—C12a—C13a | 1.4 (5) | C18b—C19b—C24b—C23b | −179.2 (3) |
C8a—C7a—C12a—C13a | −178.9 (3) | C20b—C19b—C24b—C23b | 0.6 (5) |
C6a—C7a—C12a—C11a | −177.8 (3) | C23b—C24b—C25b—C26b | 177.5 (3) |
C8a—C7a—C12a—C11a | 1.8 (5) | C19b—C24b—C25b—C26b | −2.2 (5) |
C11a—C12a—C13a—C14a | 175.9 (3) | C24b—C25b—C26b—C31b | 1.3 (5) |
C7a—C12a—C13a—C14a | −3.3 (5) | C24b—C25b—C26b—C27b | −177.5 (3) |
C11a—C12a—C13a—C15a | −1.7 (5) | C25b—C26b—C27b—C28b | 175.9 (4) |
C7a—C12a—C13a—C15a | 179.1 (3) | C31b—C26b—C27b—C28b | −2.9 (6) |
C12a—C13a—C14a—C1a | −176.9 (3) | C26b—C27b—C28b—C29b | 1.3 (7) |
C15a—C13a—C14a—C1a | 0.8 (5) | C27b—C28b—C29b—C30b | 1.4 (7) |
C12a—C13a—C14a—C5a | 2.6 (4) | C28b—C29b—C30b—C31b | −2.3 (6) |
C15a—C13a—C14a—C5a | −179.7 (3) | C19b—C18b—C31b—C30b | 175.2 (3) |
C2a—C1a—C14a—C13a | 179.6 (3) | C17b—C18b—C31b—C30b | −3.2 (5) |
C2a—C1a—C14a—C5a | 0.1 (5) | C19b—C18b—C31b—C26b | −2.9 (5) |
C6a—C5a—C14a—C13a | 0.1 (5) | C17b—C18b—C31b—C26b | 178.8 (3) |
C4a—C5a—C14a—C13a | −179.8 (3) | C29b—C30b—C31b—C18b | −177.5 (4) |
C6a—C5a—C14a—C1a | 179.6 (3) | C29b—C30b—C31b—C26b | 0.6 (5) |
C4a—C5a—C14a—C1a | −0.3 (4) | C25b—C26b—C31b—C18b | 1.3 (5) |
C14a—C13a—C15a—C16a | −81.9 (4) | C27b—C26b—C31b—C18b | −179.8 (3) |
C12a—C13a—C15a—C16a | 95.8 (4) | C25b—C26b—C31b—C30b | −176.9 (3) |
C13a—C15a—C16a—C17a | 164.1 (3) | C27b—C26b—C31b—C30b | 2.0 (5) |
C15a—C16a—C17a—C18a | −176.0 (3) | C14c—C1c—C2c—C3c | 1.0 (6) |
C16a—C17a—C18a—C31a | 87.5 (4) | C1c—C2c—C3c—C4c | 0.2 (6) |
C16a—C17a—C18a—C19a | −93.9 (4) | C2c—C3c—C4c—C5c | −0.5 (6) |
C31a—C18a—C19a—C24a | 0.4 (5) | C3c—C4c—C5c—C6c | −179.0 (4) |
C17a—C18a—C19a—C24a | −178.3 (3) | C3c—C4c—C5c—C14c | −0.5 (5) |
C31a—C18a—C19a—C20a | 180.0 (3) | C4c—C5c—C6c—C7c | 177.6 (3) |
C17a—C18a—C19a—C20a | 1.3 (5) | C14c—C5c—C6c—C7c | −0.9 (5) |
C18a—C19a—C20a—C21a | −178.5 (4) | C5c—C6c—C7c—C8c | −178.7 (3) |
C24a—C19a—C20a—C21a | 1.1 (5) | C5c—C6c—C7c—C12c | 0.4 (5) |
C19a—C20a—C21a—C22a | −2.0 (6) | C6c—C7c—C8c—C9c | 178.7 (4) |
C20a—C21a—C22a—C23a | 1.1 (7) | C12c—C7c—C8c—C9c | −0.4 (6) |
C21a—C22a—C23a—C24a | 0.8 (7) | C7c—C8c—C9c—C10c | 0.6 (7) |
C22a—C23a—C24a—C25a | 177.5 (4) | C8c—C9c—C10c—C11c | −1.4 (7) |
C22a—C23a—C24a—C19a | −1.7 (6) | C9c—C10c—C11c—C12c | 2.0 (6) |
C18a—C19a—C24a—C25a | 1.1 (5) | C10c—C11c—C12c—C13c | 178.8 (3) |
C20a—C19a—C24a—C25a | −178.5 (3) | C10c—C11c—C12c—C7c | −1.8 (5) |
C18a—C19a—C24a—C23a | −179.6 (3) | C6c—C7c—C12c—C13c | 1.3 (5) |
C20a—C19a—C24a—C23a | 0.8 (5) | C8c—C7c—C12c—C13c | −179.5 (3) |
C23a—C24a—C25a—C26a | 178.8 (3) | C6c—C7c—C12c—C11c | −178.2 (3) |
C19a—C24a—C25a—C26a | −1.9 (5) | C8c—C7c—C12c—C11c | 1.0 (5) |
C24a—C25a—C26a—C31a | 1.1 (5) | C11c—C12c—C13c—C14c | 176.9 (3) |
C24a—C25a—C26a—C27a | −179.8 (4) | C7c—C12c—C13c—C14c | −2.5 (4) |
C25a—C26a—C27a—C28a | 180.0 (4) | C11c—C12c—C13c—C15c | −1.4 (5) |
C31a—C26a—C27a—C28a | −1.0 (6) | C7c—C12c—C13c—C15c | 179.2 (3) |
C26a—C27a—C28a—C29a | −0.3 (7) | C12c—C13c—C14c—C1c | −178.6 (3) |
C27a—C28a—C29a—C30a | 0.9 (7) | C15c—C13c—C14c—C1c | −0.2 (5) |
C28a—C29a—C30a—C31a | −0.1 (7) | C12c—C13c—C14c—C5c | 2.0 (5) |
C19a—C18a—C31a—C30a | 178.5 (3) | C15c—C13c—C14c—C5c | −179.6 (3) |
C17a—C18a—C31a—C30a | −2.8 (5) | C2c—C1c—C14c—C13c | 178.6 (4) |
C19a—C18a—C31a—C26a | −1.2 (5) | C2c—C1c—C14c—C5c | −2.0 (5) |
C17a—C18a—C31a—C26a | 177.5 (3) | C6c—C5c—C14c—C13c | −0.3 (5) |
C29a—C30a—C31a—C18a | 179.2 (4) | C4c—C5c—C14c—C13c | −178.9 (3) |
C29a—C30a—C31a—C26a | −1.1 (5) | C6c—C5c—C14c—C1c | −179.8 (3) |
C25a—C26a—C31a—C18a | 0.4 (5) | C4c—C5c—C14c—C1c | 1.7 (5) |
C27a—C26a—C31a—C18a | −178.7 (3) | C12c—C13c—C15c—C16c | 97.6 (4) |
C25a—C26a—C31a—C30a | −179.3 (3) | C14c—C13c—C15c—C16c | −80.7 (4) |
C27a—C26a—C31a—C30a | 1.6 (5) | C13c—C15c—C16c—C17c | 164.3 (3) |
C14b—C1b—C2b—C3b | 1.3 (6) | C15c—C16c—C17c—C18c | −169.2 (3) |
C1b—C2b—C3b—C4b | −0.6 (7) | C16c—C17c—C18c—C19c | −99.2 (4) |
C2b—C3b—C4b—C5b | −0.1 (7) | C16c—C17c—C18c—C31c | 76.9 (4) |
C3b—C4b—C5b—C6b | −179.5 (4) | C31c—C18c—C19c—C24c | −1.6 (5) |
C3b—C4b—C5b—C14b | 0.0 (6) | C17c—C18c—C19c—C24c | 174.4 (3) |
C14b—C5b—C6b—C7b | −1.9 (5) | C31c—C18c—C19c—C20c | 177.7 (3) |
C4b—C5b—C6b—C7b | 177.6 (4) | C17c—C18c—C19c—C20c | −6.3 (5) |
C5b—C6b—C7b—C8b | −178.7 (4) | C18c—C19c—C20c—C21c | −180.0 (4) |
C5b—C6b—C7b—C12b | 2.2 (5) | C24c—C19c—C20c—C21c | −0.6 (5) |
C6b—C7b—C8b—C9b | 179.5 (5) | C19c—C20c—C21c—C22c | 0.8 (7) |
C12b—C7b—C8b—C9b | −1.5 (7) | C20c—C21c—C22c—C23c | −0.2 (7) |
C7b—C8b—C9b—C10b | 1.0 (8) | C21c—C22c—C23c—C24c | −0.6 (7) |
C8b—C9b—C10b—C11b | −0.2 (8) | C18c—C19c—C24c—C25c | −1.7 (5) |
C9b—C10b—C11b—C12b | −0.1 (7) | C20c—C19c—C24c—C25c | 178.9 (3) |
C10b—C11b—C12b—C13b | 179.9 (4) | C18c—C19c—C24c—C23c | 179.2 (3) |
C10b—C11b—C12b—C7b | −0.4 (5) | C20c—C19c—C24c—C23c | −0.2 (5) |
C6b—C7b—C12b—C13b | −0.1 (5) | C22c—C23c—C24c—C25c | −178.3 (4) |
C8b—C7b—C12b—C13b | −179.2 (3) | C22c—C23c—C24c—C19c | 0.8 (6) |
C6b—C7b—C12b—C11b | −179.8 (3) | C19c—C24c—C25c—C26c | 2.2 (5) |
C8b—C7b—C12b—C11b | 1.1 (5) | C23c—C24c—C25c—C26c | −178.7 (3) |
C11b—C12b—C13b—C14b | 177.5 (3) | C24c—C25c—C26c—C31c | 0.7 (5) |
C7b—C12b—C13b—C14b | −2.2 (4) | C24c—C25c—C26c—C27c | 180.0 (3) |
C11b—C12b—C13b—C15b | −2.9 (5) | C25c—C26c—C27c—C28c | −178.8 (4) |
C7b—C12b—C13b—C15b | 177.4 (3) | C31c—C26c—C27c—C28c | 0.5 (6) |
C12b—C13b—C14b—C5b | 2.5 (4) | C26c—C27c—C28c—C29c | 3.3 (8) |
C15b—C13b—C14b—C5b | −177.1 (3) | C27c—C28c—C29c—C30c | −4.4 (8) |
C12b—C13b—C14b—C1b | −178.1 (3) | C28c—C29c—C30c—C31c | 1.6 (7) |
C15b—C13b—C14b—C1b | 2.3 (5) | C19c—C18c—C31c—C26c | 4.5 (5) |
C6b—C5b—C14b—C13b | −0.5 (5) | C17c—C18c—C31c—C26c | −171.7 (3) |
C4b—C5b—C14b—C13b | 180.0 (3) | C19c—C18c—C31c—C30c | −175.7 (3) |
C6b—C5b—C14b—C1b | −179.9 (3) | C17c—C18c—C31c—C30c | 8.1 (5) |
C4b—C5b—C14b—C1b | 0.6 (5) | C25c—C26c—C31c—C18c | −4.1 (5) |
C2b—C1b—C14b—C13b | 179.3 (3) | C27c—C26c—C31c—C18c | 176.6 (3) |
C2b—C1b—C14b—C5b | −1.3 (5) | C25c—C26c—C31c—C30c | 176.2 (3) |
C14b—C13b—C15b—C16b | −99.5 (4) | C27c—C26c—C31c—C30c | −3.2 (5) |
C12b—C13b—C15b—C16b | 80.9 (4) | C29c—C30c—C31c—C18c | −177.6 (4) |
C13b—C15b—C16b—C17b | −170.9 (3) | C29c—C30c—C31c—C26c | 2.2 (6) |
D—H···A | D—H | H···A | D···A | D—H···A |
C2a—H2a···Cg1 | 0.93 | 2.86 | 3.5722 (5) | 135 |
C6c—H6c···Cg2i | 0.93 | 2.95 | 3.8708 (4) | 170 |
C8b—H8b···Cg3ii | 0.93 | 2.82 | 3.7438 (6) | 173 |
C8c—H8c···Cg4i | 0.93 | 2.80 | 3.6815 (5) | 159 |
C17b—H17d···Cg5iii | 0.97 | 2.90 | 3.8021 (4) | 156 |
C17c—H17e···Cg6ii | 0.97 | 2.90 | 3.8054 (4) | 155 |
C23a—H23a···Cg7iv | 0.93 | 2.59 | 3.5045 (5) | 167 |
Symmetry codes: (i) x+1, y, z; (ii) x−1/2, −y+1/2, −z; (iii) −x+1, y−1/2, −z+1/2; (iv) −x, y+1/2, −z+1/2. |