Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680401236X/ci6374sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680401236X/ci6374Isup2.hkl |
CCDC reference: 242359
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ZORTEP (Zsolnai, 1997); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 1990).
C30H46O | F(000) = 936 |
Mr = 422.67 | Dx = 1.103 Mg m−3 |
Orthorhombic, P212121 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2ac 2ab | Cell parameters from 6028 reflections |
a = 10.422 (4) Å | θ = 1.9–28.0° |
b = 13.881 (5) Å | µ = 0.06 mm−1 |
c = 17.591 (6) Å | T = 293 K |
V = 2544.8 (15) Å3 | Block, colourless |
Z = 4 | 0.48 × 0.40 × 0.40 mm |
Bruker SMART APEX CCD area-detector diffractometer | 2726 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.044 |
Graphite monochromator | θmax = 28.0°, θmin = 1.9° |
ω scans | h = −13→13 |
22282 measured reflections | k = −18→18 |
3423 independent reflections | l = −23→23 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.061 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.152 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.079P)2 + 0.3676P] where P = (Fo2 + 2Fc2)/3 |
3423 reflections | (Δ/σ)max < 0.001 |
286 parameters | Δρmax = 0.24 e Å−3 |
0 restraints | Δρmin = −0.18 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | ||
C1 | 0.7392 (4) | 0.8276 (2) | 0.56012 (16) | 0.0630 (9) | |
H1 | 0.7518 | 0.7634 | 0.5732 | 0.076* | |
C2 | 0.6871 (4) | 0.8853 (3) | 0.61138 (17) | 0.0689 (9) | |
H2 | 0.6654 | 0.8590 | 0.6583 | 0.083* | |
C3 | 0.6616 (4) | 0.9867 (3) | 0.59929 (18) | 0.0739 (10) | |
C4 | 0.6865 (4) | 1.0288 (2) | 0.52050 (16) | 0.0603 (8) | |
C5 | 0.6938 (3) | 0.94685 (19) | 0.46138 (14) | 0.0455 (6) | |
H5 | 0.6065 | 0.9206 | 0.4597 | 0.055* | |
C6 | 0.7199 (3) | 0.97943 (19) | 0.38023 (15) | 0.0490 (7) | |
H6A | 0.8100 | 0.9955 | 0.3747 | 0.059* | |
H6B | 0.6699 | 1.0367 | 0.3691 | 0.059* | |
C7 | 0.6844 (3) | 0.89931 (18) | 0.32444 (14) | 0.0458 (6) | |
H7A | 0.7026 | 0.9210 | 0.2731 | 0.055* | |
H7B | 0.5929 | 0.8871 | 0.3279 | 0.055* | |
C8 | 0.7569 (2) | 0.80466 (17) | 0.33904 (13) | 0.0374 (5) | |
C9 | 0.7492 (3) | 0.77655 (17) | 0.42475 (13) | 0.0409 (6) | |
H9 | 0.6589 | 0.7603 | 0.4335 | 0.049* | |
C10 | 0.7791 (3) | 0.85947 (19) | 0.48245 (13) | 0.0442 (6) | |
C11 | 0.8226 (3) | 0.68305 (19) | 0.43928 (16) | 0.0528 (7) | |
H11A | 0.9125 | 0.6928 | 0.4275 | 0.063* | |
H11B | 0.8160 | 0.6664 | 0.4927 | 0.063* | |
C12 | 0.7710 (3) | 0.60034 (19) | 0.39164 (15) | 0.0522 (7) | |
H12A | 0.8236 | 0.5437 | 0.3999 | 0.063* | |
H12B | 0.6843 | 0.5853 | 0.4078 | 0.063* | |
C13 | 0.7706 (3) | 0.62489 (17) | 0.30752 (15) | 0.0423 (6) | |
H13 | 0.8600 | 0.6382 | 0.2939 | 0.051* | |
C14 | 0.6946 (2) | 0.71934 (18) | 0.29099 (13) | 0.0381 (5) | |
C15 | 0.6989 (3) | 0.7433 (2) | 0.20536 (14) | 0.0492 (6) | |
H15A | 0.6405 | 0.7961 | 0.1954 | 0.059* | |
H15B | 0.7847 | 0.7649 | 0.1925 | 0.059* | |
C16 | 0.6636 (3) | 0.6590 (2) | 0.15380 (15) | 0.0562 (7) | |
H16A | 0.5737 | 0.6432 | 0.1609 | 0.067* | |
H16B | 0.6757 | 0.6778 | 0.1012 | 0.067* | |
C17 | 0.7450 (3) | 0.5706 (2) | 0.17063 (17) | 0.0535 (7) | |
C18 | 0.7260 (3) | 0.54400 (19) | 0.25457 (16) | 0.0470 (6) | |
H18 | 0.6334 | 0.5371 | 0.2624 | 0.056* | |
C19 | 0.7840 (3) | 0.4424 (2) | 0.26183 (18) | 0.0545 (7) | |
H19 | 0.8770 | 0.4488 | 0.2681 | 0.065* | |
C20 | 0.7344 (4) | 0.3773 (2) | 0.3226 (2) | 0.0716 (9) | |
C21 | 0.7570 (3) | 0.3981 (2) | 0.1821 (2) | 0.0652 (9) | |
H21A | 0.8359 | 0.3736 | 0.1600 | 0.078* | |
H21B | 0.6965 | 0.3453 | 0.1864 | 0.078* | |
C22 | 0.7018 (4) | 0.4773 (2) | 0.1326 (2) | 0.0675 (9) | |
H22A | 0.6090 | 0.4734 | 0.1309 | 0.081* | |
H22B | 0.7350 | 0.4731 | 0.0812 | 0.081* | |
C23 | 0.5723 (4) | 1.0939 (3) | 0.5030 (2) | 0.0900 (13) | |
H23A | 0.5683 | 1.1449 | 0.5399 | 0.135* | |
H23B | 0.4946 | 1.0569 | 0.5050 | 0.135* | |
H23C | 0.5821 | 1.1210 | 0.4531 | 0.135* | |
C24 | 0.8075 (4) | 1.0926 (3) | 0.5249 (2) | 0.0847 (12) | |
H24A | 0.7953 | 1.1416 | 0.5628 | 0.127* | |
H24B | 0.8224 | 1.1223 | 0.4765 | 0.127* | |
H24C | 0.8801 | 1.0536 | 0.5384 | 0.127* | |
C25 | 0.9238 (3) | 0.8822 (2) | 0.48816 (17) | 0.0585 (8) | |
H25A | 0.9713 | 0.8231 | 0.4913 | 0.065 (10)* | |
H25B | 0.9396 | 0.9203 | 0.5328 | 0.083 (11)* | |
H25C | 0.9503 | 0.9175 | 0.4439 | 0.067 (10)* | |
C26 | 0.8966 (3) | 0.8209 (2) | 0.31324 (16) | 0.0496 (6) | |
H26A | 0.9284 | 0.8797 | 0.3349 | 0.060* | |
H26B | 0.8996 | 0.8251 | 0.2588 | 0.060* | |
H26C | 0.9488 | 0.7680 | 0.3300 | 0.060* | |
C27 | 0.5513 (2) | 0.7052 (2) | 0.31184 (17) | 0.0497 (6) | |
H27A | 0.5139 | 0.6582 | 0.2785 | 0.092 (13)* | |
H27B | 0.5067 | 0.7653 | 0.3065 | 0.113 (15)* | |
H27C | 0.5447 | 0.6833 | 0.3635 | 0.132 (18)* | |
C28 | 0.8859 (3) | 0.5890 (3) | 0.1495 (2) | 0.0676 (9) | |
H28A | 0.8917 | 0.6051 | 0.0966 | 0.101* | |
H28B | 0.9354 | 0.5320 | 0.1594 | 0.101* | |
H28C | 0.9187 | 0.6413 | 0.1794 | 0.101* | |
C29 | 0.6141 (4) | 0.3839 (3) | 0.3526 (2) | 0.0871 (12) | |
H29A | 0.5857 | 0.3379 | 0.3872 | 0.104* | |
H29B | 0.5604 | 0.4344 | 0.3385 | 0.104* | |
C30 | 0.8193 (6) | 0.3001 (4) | 0.3435 (4) | 0.152 (3) | |
H30A | 0.7801 | 0.2618 | 0.3826 | 0.228* | |
H30B | 0.8986 | 0.3263 | 0.3620 | 0.228* | |
H30C | 0.8359 | 0.2605 | 0.2999 | 0.228* | |
O31 | 0.6240 (4) | 1.0368 (2) | 0.65044 (15) | 0.1180 (13) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.091 (2) | 0.0597 (17) | 0.0383 (13) | −0.0092 (18) | −0.0077 (16) | 0.0056 (13) |
C2 | 0.091 (2) | 0.078 (2) | 0.0371 (14) | −0.016 (2) | 0.0034 (16) | −0.0025 (15) |
C3 | 0.091 (3) | 0.084 (2) | 0.0467 (17) | −0.006 (2) | −0.0053 (18) | −0.0194 (17) |
C4 | 0.077 (2) | 0.0568 (17) | 0.0472 (15) | 0.0020 (16) | −0.0117 (15) | −0.0108 (13) |
C5 | 0.0534 (15) | 0.0446 (13) | 0.0384 (12) | −0.0010 (12) | −0.0056 (11) | −0.0048 (11) |
C6 | 0.0638 (18) | 0.0398 (13) | 0.0435 (13) | 0.0019 (12) | −0.0109 (13) | 0.0046 (11) |
C7 | 0.0583 (16) | 0.0447 (13) | 0.0345 (12) | 0.0061 (13) | −0.0067 (12) | 0.0023 (11) |
C8 | 0.0397 (13) | 0.0390 (12) | 0.0335 (11) | 0.0001 (10) | −0.0004 (10) | 0.0039 (9) |
C9 | 0.0435 (14) | 0.0413 (13) | 0.0378 (12) | −0.0023 (11) | −0.0023 (11) | 0.0054 (10) |
C10 | 0.0526 (15) | 0.0459 (13) | 0.0341 (12) | −0.0039 (12) | −0.0058 (11) | 0.0037 (11) |
C11 | 0.0668 (19) | 0.0487 (15) | 0.0430 (13) | 0.0053 (14) | −0.0082 (13) | 0.0111 (12) |
C12 | 0.0636 (17) | 0.0410 (14) | 0.0519 (15) | 0.0059 (13) | −0.0026 (14) | 0.0064 (12) |
C13 | 0.0399 (13) | 0.0394 (12) | 0.0475 (13) | 0.0013 (11) | 0.0027 (11) | 0.0011 (11) |
C14 | 0.0375 (12) | 0.0413 (12) | 0.0354 (11) | 0.0012 (10) | 0.0024 (10) | −0.0006 (10) |
C15 | 0.0559 (16) | 0.0512 (14) | 0.0405 (13) | 0.0014 (13) | −0.0010 (12) | 0.0013 (12) |
C16 | 0.0644 (19) | 0.0616 (17) | 0.0426 (13) | −0.0033 (15) | −0.0016 (14) | −0.0029 (13) |
C17 | 0.0532 (17) | 0.0546 (15) | 0.0527 (15) | −0.0054 (13) | 0.0051 (13) | −0.0120 (13) |
C18 | 0.0380 (13) | 0.0461 (14) | 0.0569 (15) | −0.0020 (12) | 0.0055 (12) | −0.0052 (12) |
C19 | 0.0436 (14) | 0.0447 (14) | 0.0754 (19) | −0.0019 (12) | 0.0041 (14) | −0.0077 (14) |
C20 | 0.081 (2) | 0.0440 (15) | 0.090 (2) | −0.0036 (16) | 0.003 (2) | −0.0008 (17) |
C21 | 0.0516 (17) | 0.0534 (16) | 0.091 (2) | −0.0046 (14) | 0.0072 (17) | −0.0232 (17) |
C22 | 0.070 (2) | 0.0643 (19) | 0.068 (2) | −0.0081 (17) | 0.0032 (17) | −0.0203 (16) |
C23 | 0.109 (3) | 0.082 (2) | 0.078 (2) | 0.033 (2) | −0.019 (2) | −0.034 (2) |
C24 | 0.104 (3) | 0.062 (2) | 0.088 (2) | −0.019 (2) | −0.013 (2) | −0.0160 (19) |
C25 | 0.0570 (17) | 0.0626 (18) | 0.0558 (17) | −0.0038 (15) | −0.0185 (14) | 0.0008 (15) |
C26 | 0.0464 (15) | 0.0529 (15) | 0.0494 (14) | −0.0064 (12) | 0.0037 (12) | 0.0021 (13) |
C27 | 0.0399 (14) | 0.0540 (15) | 0.0552 (16) | 0.0007 (13) | 0.0020 (12) | −0.0062 (13) |
C28 | 0.065 (2) | 0.069 (2) | 0.0693 (19) | −0.0067 (17) | 0.0226 (17) | −0.0152 (17) |
C29 | 0.081 (3) | 0.068 (2) | 0.112 (3) | −0.016 (2) | 0.021 (2) | 0.016 (2) |
C30 | 0.129 (5) | 0.127 (4) | 0.200 (6) | 0.037 (4) | 0.024 (5) | 0.082 (5) |
O31 | 0.185 (4) | 0.110 (2) | 0.0581 (15) | 0.019 (2) | 0.0121 (19) | −0.0290 (16) |
C1—C2 | 1.322 (5) | C16—H16A | 0.97 |
C1—C10 | 1.495 (4) | C16—H16B | 0.97 |
C1—H1 | 0.93 | C17—C22 | 1.524 (4) |
C2—C3 | 1.449 (5) | C17—C18 | 1.535 (4) |
C2—H2 | 0.93 | C17—C28 | 1.536 (4) |
C3—O31 | 1.202 (4) | C18—C19 | 1.539 (4) |
C3—C4 | 1.526 (5) | C18—H18 | 0.98 |
C4—C23 | 1.526 (5) | C19—C20 | 1.493 (5) |
C4—C24 | 1.543 (5) | C19—C21 | 1.558 (4) |
C4—C5 | 1.543 (4) | C19—H19 | 0.98 |
C5—C6 | 1.522 (4) | C20—C29 | 1.363 (6) |
C5—C10 | 1.549 (4) | C20—C30 | 1.438 (6) |
C5—H5 | 0.98 | C21—C22 | 1.515 (5) |
C6—C7 | 1.529 (4) | C21—H21A | 0.97 |
C6—H6A | 0.97 | C21—H21B | 0.97 |
C6—H6B | 0.97 | C22—H22A | 0.97 |
C7—C8 | 1.537 (3) | C22—H22B | 0.97 |
C7—H7A | 0.97 | C23—H23A | 0.96 |
C7—H7B | 0.97 | C23—H23B | 0.96 |
C8—C26 | 1.541 (4) | C23—H23C | 0.96 |
C8—C9 | 1.560 (3) | C24—H24A | 0.96 |
C8—C14 | 1.593 (3) | C24—H24B | 0.96 |
C9—C11 | 1.528 (4) | C24—H24C | 0.96 |
C9—C10 | 1.566 (3) | C25—H25A | 0.96 |
C9—H9 | 0.98 | C25—H25B | 0.96 |
C10—C25 | 1.543 (4) | C25—H25C | 0.96 |
C11—C12 | 1.519 (4) | C26—H26A | 0.96 |
C11—H11A | 0.97 | C26—H26B | 0.96 |
C11—H11B | 0.97 | C26—H26C | 0.96 |
C12—C13 | 1.518 (4) | C27—H27A | 0.96 |
C12—H12A | 0.97 | C27—H27B | 0.96 |
C12—H12B | 0.97 | C27—H27C | 0.96 |
C13—C18 | 1.531 (4) | C28—H28A | 0.96 |
C13—C14 | 1.559 (3) | C28—H28B | 0.96 |
C13—H13 | 0.98 | C28—H28C | 0.96 |
C14—C15 | 1.543 (3) | C29—H29A | 0.93 |
C14—C27 | 1.550 (4) | C29—H29B | 0.93 |
C15—C16 | 1.525 (4) | C30—H30A | 0.96 |
C15—H15A | 0.97 | C30—H30B | 0.96 |
C15—H15B | 0.97 | C30—H30C | 0.96 |
C16—C17 | 1.521 (4) | ||
C2—C1—C10 | 123.9 (3) | C15—C16—H16A | 109.3 |
C2—C1—H1 | 118.0 | C17—C16—H16B | 109.3 |
C10—C1—H1 | 118.0 | C15—C16—H16B | 109.3 |
C1—C2—C3 | 124.3 (3) | H16A—C16—H16B | 108.0 |
C1—C2—H2 | 117.8 | C16—C17—C22 | 115.8 (3) |
C3—C2—H2 | 117.8 | C16—C17—C18 | 108.0 (2) |
O31—C3—C2 | 120.8 (3) | C22—C17—C18 | 100.4 (2) |
O31—C3—C4 | 120.9 (4) | C16—C17—C28 | 110.6 (3) |
C2—C3—C4 | 118.3 (3) | C22—C17—C28 | 108.5 (3) |
C23—C4—C3 | 106.1 (3) | C18—C17—C28 | 113.3 (3) |
C23—C4—C24 | 107.9 (3) | C13—C18—C17 | 111.7 (2) |
C3—C4—C24 | 108.2 (3) | C13—C18—C19 | 120.1 (2) |
C23—C4—C5 | 109.8 (3) | C17—C18—C19 | 104.4 (2) |
C3—C4—C5 | 109.8 (3) | C13—C18—H18 | 106.6 |
C24—C4—C5 | 114.7 (3) | C17—C18—H18 | 106.6 |
C6—C5—C4 | 114.9 (2) | C19—C18—H18 | 106.6 |
C6—C5—C10 | 110.7 (2) | C20—C19—C18 | 118.6 (3) |
C4—C5—C10 | 116.4 (2) | C20—C19—C21 | 110.1 (2) |
C6—C5—H5 | 104.4 | C18—C19—C21 | 102.5 (2) |
C4—C5—H5 | 104.4 | C20—C19—H19 | 108.4 |
C10—C5—H5 | 104.4 | C18—C19—H19 | 108.4 |
C5—C6—C7 | 110.0 (2) | C21—C19—H19 | 108.4 |
C5—C6—H6A | 109.7 | C29—C20—C30 | 121.1 (4) |
C7—C6—H6A | 109.7 | C29—C20—C19 | 123.7 (3) |
C5—C6—H6B | 109.7 | C30—C20—C19 | 114.9 (4) |
C7—C6—H6B | 109.7 | C22—C21—C19 | 107.4 (2) |
H6A—C6—H6B | 108.2 | C22—C21—H21A | 110.2 |
C6—C7—C8 | 113.3 (2) | C19—C21—H21A | 110.2 |
C6—C7—H7A | 108.9 | C22—C21—H21B | 110.2 |
C8—C7—H7A | 108.9 | C19—C21—H21B | 110.2 |
C6—C7—H7B | 108.9 | H21A—C21—H21B | 108.5 |
C8—C7—H7B | 108.9 | C21—C22—C17 | 104.6 (3) |
H7A—C7—H7B | 107.7 | C21—C22—H22A | 110.8 |
C7—C8—C26 | 106.9 (2) | C17—C22—H22A | 110.8 |
C7—C8—C9 | 110.5 (2) | C21—C22—H22B | 110.8 |
C26—C8—C9 | 111.7 (2) | C17—C22—H22B | 110.8 |
C7—C8—C14 | 110.25 (19) | H22A—C22—H22B | 108.9 |
C26—C8—C14 | 109.7 (2) | C4—C23—H23A | 109.5 |
C9—C8—C14 | 107.81 (18) | C4—C23—H23B | 109.5 |
C11—C9—C8 | 110.4 (2) | H23A—C23—H23B | 109.5 |
C11—C9—C10 | 114.6 (2) | C4—C23—H23C | 109.5 |
C8—C9—C10 | 115.63 (19) | H23A—C23—H23C | 109.5 |
C11—C9—H9 | 105.0 | H23B—C23—H23C | 109.5 |
C8—C9—H9 | 105.0 | C4—C24—H24A | 109.5 |
C10—C9—H9 | 105.0 | C4—C24—H24B | 109.5 |
C1—C10—C25 | 105.8 (2) | H24A—C24—H24B | 109.5 |
C1—C10—C5 | 106.9 (2) | C4—C24—H24C | 109.5 |
C25—C10—C5 | 114.6 (2) | H24A—C24—H24C | 109.5 |
C1—C10—C9 | 108.6 (2) | H24B—C24—H24C | 109.5 |
C25—C10—C9 | 112.8 (2) | C10—C25—H25A | 109.5 |
C5—C10—C9 | 107.82 (19) | C10—C25—H25B | 109.5 |
C12—C11—C9 | 111.9 (2) | H25A—C25—H25B | 109.5 |
C12—C11—H11A | 109.2 | C10—C25—H25C | 109.5 |
C9—C11—H11A | 109.2 | H25A—C25—H25C | 109.5 |
C12—C11—H11B | 109.2 | H25B—C25—H25C | 109.5 |
C9—C11—H11B | 109.2 | C8—C26—H26A | 109.5 |
H11A—C11—H11B | 107.9 | C8—C26—H26B | 109.5 |
C13—C12—C11 | 111.7 (2) | H26A—C26—H26B | 109.5 |
C13—C12—H12A | 109.3 | C8—C26—H26C | 109.5 |
C11—C12—H12A | 109.3 | H26A—C26—H26C | 109.5 |
C13—C12—H12B | 109.3 | H26B—C26—H26C | 109.5 |
C11—C12—H12B | 109.3 | C14—C27—H27A | 109.5 |
H12A—C12—H12B | 108.0 | C14—C27—H27B | 109.5 |
C12—C13—C18 | 115.4 (2) | H27A—C27—H27B | 109.5 |
C12—C13—C14 | 111.8 (2) | C14—C27—H27C | 109.5 |
C18—C13—C14 | 110.4 (2) | H27A—C27—H27C | 109.5 |
C12—C13—H13 | 106.2 | H27B—C27—H27C | 109.5 |
C18—C13—H13 | 106.2 | C17—C28—H28A | 109.5 |
C14—C13—H13 | 106.2 | C17—C28—H28B | 109.5 |
C15—C14—C27 | 106.6 (2) | H28A—C28—H28B | 109.5 |
C15—C14—C13 | 110.4 (2) | C17—C28—H28C | 109.5 |
C27—C14—C13 | 109.8 (2) | H28A—C28—H28C | 109.5 |
C15—C14—C8 | 110.2 (2) | H28B—C28—H28C | 109.5 |
C27—C14—C8 | 111.2 (2) | C20—C29—H29A | 120.0 |
C13—C14—C8 | 108.61 (18) | C20—C29—H29B | 120.0 |
C16—C15—C14 | 114.1 (2) | H29A—C29—H29B | 120.0 |
C16—C15—H15A | 108.7 | C20—C30—H30A | 109.5 |
C14—C15—H15A | 108.7 | C20—C30—H30B | 109.5 |
C16—C15—H15B | 108.7 | H30A—C30—H30B | 109.5 |
C14—C15—H15B | 108.7 | C20—C30—H30C | 109.5 |
H15A—C15—H15B | 107.6 | H30A—C30—H30C | 109.5 |
C17—C16—C15 | 111.6 (2) | H30B—C30—H30C | 109.5 |
C17—C16—H16A | 109.3 | ||
C10—C1—C2—C3 | 0.1 (6) | C12—C13—C14—C15 | 178.7 (2) |
C1—C2—C3—O31 | −173.7 (4) | C18—C13—C14—C15 | −51.3 (3) |
C1—C2—C3—C4 | 5.0 (6) | C12—C13—C14—C27 | −64.1 (3) |
O31—C3—C4—C23 | −44.5 (5) | C18—C13—C14—C27 | 65.9 (3) |
C2—C3—C4—C23 | 136.8 (4) | C12—C13—C14—C8 | 57.7 (3) |
O31—C3—C4—C24 | 71.1 (5) | C18—C13—C14—C8 | −172.30 (19) |
C2—C3—C4—C24 | −107.6 (4) | C7—C8—C14—C15 | 59.1 (3) |
O31—C3—C4—C5 | −163.1 (4) | C26—C8—C14—C15 | −58.4 (3) |
C2—C3—C4—C5 | 18.2 (5) | C9—C8—C14—C15 | 179.8 (2) |
C23—C4—C5—C6 | 64.4 (4) | C7—C8—C14—C27 | −59.0 (3) |
C3—C4—C5—C6 | −179.3 (3) | C26—C8—C14—C27 | −176.4 (2) |
C24—C4—C5—C6 | −57.3 (4) | C9—C8—C14—C27 | 61.7 (3) |
C23—C4—C5—C10 | −163.8 (3) | C7—C8—C14—C13 | −179.9 (2) |
C3—C4—C5—C10 | −47.5 (4) | C26—C8—C14—C13 | 62.7 (2) |
C24—C4—C5—C10 | 74.5 (3) | C9—C8—C14—C13 | −59.2 (2) |
C4—C5—C6—C7 | −162.5 (3) | C27—C14—C15—C16 | −69.5 (3) |
C10—C5—C6—C7 | 63.0 (3) | C13—C14—C15—C16 | 49.7 (3) |
C5—C6—C7—C8 | −57.9 (3) | C8—C14—C15—C16 | 169.7 (2) |
C6—C7—C8—C26 | −72.7 (3) | C14—C15—C16—C17 | −54.1 (4) |
C6—C7—C8—C9 | 49.0 (3) | C15—C16—C17—C22 | 169.4 (3) |
C6—C7—C8—C14 | 168.1 (2) | C15—C16—C17—C18 | 57.8 (3) |
C7—C8—C9—C11 | −179.4 (2) | C15—C16—C17—C28 | −66.7 (3) |
C26—C8—C9—C11 | −60.6 (3) | C12—C13—C18—C17 | −172.7 (2) |
C14—C8—C9—C11 | 60.1 (3) | C14—C13—C18—C17 | 59.2 (3) |
C7—C8—C9—C10 | −47.3 (3) | C12—C13—C18—C19 | −49.9 (3) |
C26—C8—C9—C10 | 71.6 (3) | C14—C13—C18—C19 | −178.0 (2) |
C14—C8—C9—C10 | −167.8 (2) | C16—C17—C18—C13 | −61.7 (3) |
C2—C1—C10—C25 | 95.8 (4) | C22—C17—C18—C13 | 176.6 (3) |
C2—C1—C10—C5 | −26.8 (4) | C28—C17—C18—C13 | 61.2 (3) |
C2—C1—C10—C9 | −142.9 (3) | C16—C17—C18—C19 | 166.9 (2) |
C6—C5—C10—C1 | −175.4 (2) | C22—C17—C18—C19 | 45.3 (3) |
C4—C5—C10—C1 | 50.9 (3) | C28—C17—C18—C19 | −70.2 (3) |
C6—C5—C10—C25 | 67.7 (3) | C13—C18—C19—C20 | 80.4 (4) |
C4—C5—C10—C25 | −66.0 (3) | C17—C18—C19—C20 | −153.4 (3) |
C6—C5—C10—C9 | −58.7 (3) | C13—C18—C19—C21 | −158.2 (2) |
C4—C5—C10—C9 | 167.6 (2) | C17—C18—C19—C21 | −31.9 (3) |
C11—C9—C10—C1 | −62.5 (3) | C18—C19—C20—C29 | 26.2 (5) |
C8—C9—C10—C1 | 167.4 (2) | C21—C19—C20—C29 | −91.3 (4) |
C11—C9—C10—C25 | 54.5 (3) | C18—C19—C20—C30 | −159.2 (4) |
C8—C9—C10—C25 | −75.6 (3) | C21—C19—C20—C30 | 83.3 (5) |
C11—C9—C10—C5 | −178.0 (2) | C20—C19—C21—C22 | 133.5 (3) |
C8—C9—C10—C5 | 51.9 (3) | C18—C19—C21—C22 | 6.4 (3) |
C8—C9—C11—C12 | −58.4 (3) | C19—C21—C22—C17 | 21.5 (3) |
C10—C9—C11—C12 | 168.9 (2) | C16—C17—C22—C21 | −156.5 (3) |
C9—C11—C12—C13 | 55.1 (3) | C18—C17—C22—C21 | −40.6 (3) |
C11—C12—C13—C18 | 177.3 (2) | C28—C17—C22—C21 | 78.5 (3) |
C11—C12—C13—C14 | −55.4 (3) |