Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807012949/bt2297sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807012949/bt2297Isup2.hkl |
CCDC reference: 642932
Data collection: COLLECT (Nonius, 1998); cell refinement: DENZO (Nonius, 1998); data reduction: DENZO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON98 (Spek, 2003); software used to prepare material for publication: SHELXL97.
C30H48O | F(000) = 944 |
Mr = 424.68 | Dx = 1.083 Mg m−3 |
Orthorhombic, P212121 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2ac 2ab | Cell parameters from 3227 reflections |
a = 6.7680 (1) Å | θ = 1.0–27.5° |
b = 12.7540 (2) Å | µ = 0.06 mm−1 |
c = 30.1830 (6) Å | T = 173 K |
V = 2605.37 (8) Å3 | Prism, colorless |
Z = 4 | 0.20 × 0.15 × 0.12 mm |
Nonius KappaCCD diffractometer | 2670 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.028 |
Graphite monochromator | θmax = 27.5°, θmin = 1.7° |
φ scans | h = −8→8 |
5890 measured reflections | k = −16→16 |
3399 independent reflections | l = −38→38 |
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)] = 0.045 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.115 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0734P)2] where P = (Fo2 + 2Fc2)/3 |
3399 reflections | (Δ/σ)max < 0.001 |
280 parameters | Δρmax = 0.15 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 | ||
O1 | 0.7785 (2) | 0.29555 (15) | 0.16797 (5) | 0.0506 (5) | |
C12 | 0.1580 (3) | 0.17891 (14) | 0.31415 (6) | 0.0239 (4) | |
C13 | 0.3435 (3) | 0.24659 (14) | 0.31401 (6) | 0.0243 (4) | |
H13 | 0.4578 | 0.1971 | 0.3159 | 0.029* | |
C20 | −0.0504 (3) | 0.05536 (16) | 0.36451 (6) | 0.0291 (5) | |
H20A | 0.0172 | −0.0024 | 0.3487 | 0.035* | |
H20B | −0.1868 | 0.0618 | 0.3530 | 0.035* | |
C1 | 0.4446 (3) | 0.24536 (15) | 0.18556 (6) | 0.0283 (4) | |
C22 | 0.0974 (3) | 0.11418 (16) | 0.43638 (5) | 0.0256 (4) | |
H22 | 0.0198 | 0.1765 | 0.4465 | 0.031* | |
C23 | 0.2019 (3) | 0.06832 (17) | 0.47746 (6) | 0.0301 (5) | |
H23 | 0.2734 | 0.0033 | 0.4683 | 0.036* | |
C14 | 0.3549 (3) | 0.31636 (16) | 0.35534 (6) | 0.0305 (5) | |
H14A | 0.2495 | 0.3700 | 0.3536 | 0.037* | |
H14B | 0.4834 | 0.3535 | 0.3553 | 0.037* | |
C8 | 0.3638 (3) | 0.21780 (15) | 0.23298 (6) | 0.0255 (4) | |
H8 | 0.4555 | 0.1627 | 0.2445 | 0.031* | |
C7 | 0.3661 (3) | 0.30600 (15) | 0.26884 (6) | 0.0262 (4) | |
C21 | −0.0511 (3) | 0.03584 (17) | 0.41522 (6) | 0.0328 (5) | |
H21A | −0.0109 | −0.0372 | 0.4217 | 0.039* | |
H21B | −0.1852 | 0.0473 | 0.4274 | 0.039* | |
C16 | 0.2239 (3) | 0.14973 (15) | 0.39596 (6) | 0.0248 (4) | |
C10 | 0.1606 (3) | 0.16483 (16) | 0.23128 (6) | 0.0301 (5) | |
H10A | 0.0672 | 0.2108 | 0.2152 | 0.036* | |
H10B | 0.1715 | 0.0982 | 0.2146 | 0.036* | |
C2 | 0.3008 (3) | 0.3077 (2) | 0.15579 (6) | 0.0381 (5) | |
H2A | 0.3544 | 0.3118 | 0.1257 | 0.057* | |
H2B | 0.2843 | 0.3786 | 0.1677 | 0.057* | |
H2C | 0.1724 | 0.2722 | 0.1551 | 0.057* | |
C19 | −0.0865 (3) | 0.24791 (17) | 0.36846 (6) | 0.0330 (5) | |
H19A | −0.0169 | 0.3153 | 0.3689 | 0.050* | |
H19B | −0.1495 | 0.2361 | 0.3973 | 0.050* | |
H19C | −0.1876 | 0.2489 | 0.3452 | 0.050* | |
C24 | 0.3512 (4) | 0.14361 (19) | 0.49776 (6) | 0.0419 (6) | |
H24A | 0.4536 | 0.1600 | 0.4759 | 0.063* | |
H24B | 0.4121 | 0.1109 | 0.5238 | 0.063* | |
H24C | 0.2840 | 0.2083 | 0.5067 | 0.063* | |
C18 | 0.0628 (3) | 0.15859 (15) | 0.35906 (6) | 0.0242 (4) | |
C4 | 0.6311 (3) | 0.31243 (17) | 0.18966 (6) | 0.0319 (5) | |
C17 | 0.3708 (3) | 0.06168 (16) | 0.38497 (6) | 0.0285 (4) | |
H17A | 0.4331 | 0.0760 | 0.3563 | 0.043* | |
H17B | 0.3005 | −0.0054 | 0.3836 | 0.043* | |
H17C | 0.4725 | 0.0583 | 0.4080 | 0.043* | |
C25 | 0.0439 (3) | 0.03770 (18) | 0.51212 (6) | 0.0367 (5) | |
H25A | −0.0360 | 0.1006 | 0.5190 | 0.044* | |
H25B | −0.0455 | −0.0148 | 0.4987 | 0.044* | |
C27 | 0.2530 (4) | −0.10142 (18) | 0.54910 (6) | 0.0393 (6) | |
H27 | 0.2025 | −0.1534 | 0.5296 | 0.047* | |
C15 | 0.3331 (3) | 0.25593 (16) | 0.39992 (6) | 0.0298 (5) | |
H15A | 0.4665 | 0.2432 | 0.4123 | 0.036* | |
H15B | 0.2607 | 0.3009 | 0.4212 | 0.036* | |
C9 | 0.2009 (3) | 0.38681 (17) | 0.26318 (6) | 0.0348 (5) | |
H9A | 0.2115 | 0.4401 | 0.2864 | 0.052* | |
H9B | 0.0724 | 0.3517 | 0.2654 | 0.052* | |
H9C | 0.2129 | 0.4203 | 0.2341 | 0.052* | |
C3 | 0.4964 (4) | 0.14336 (18) | 0.16151 (6) | 0.0389 (5) | |
H3A | 0.5681 | 0.1596 | 0.1341 | 0.058* | |
H3B | 0.3747 | 0.1053 | 0.1543 | 0.058* | |
H3C | 0.5796 | 0.0998 | 0.1807 | 0.058* | |
C5 | 0.6237 (4) | 0.40168 (18) | 0.22201 (6) | 0.0376 (5) | |
H5A | 0.5247 | 0.4539 | 0.2122 | 0.045* | |
H5B | 0.7542 | 0.4367 | 0.2233 | 0.045* | |
C11 | 0.0798 (3) | 0.14258 (15) | 0.27674 (6) | 0.0280 (4) | |
H11 | −0.0347 | 0.0998 | 0.2789 | 0.034* | |
C6 | 0.5684 (3) | 0.36019 (17) | 0.26803 (6) | 0.0330 (5) | |
H6A | 0.5673 | 0.4193 | 0.2893 | 0.040* | |
H6B | 0.6706 | 0.3098 | 0.2779 | 0.040* | |
C26 | 0.1247 (3) | −0.00731 (19) | 0.55573 (6) | 0.0382 (5) | |
H26A | 0.2019 | 0.0477 | 0.5711 | 0.046* | |
H26B | 0.0124 | −0.0267 | 0.5751 | 0.046* | |
C28 | 0.4275 (4) | −0.12194 (19) | 0.56679 (6) | 0.0409 (6) | |
C30 | 0.5289 (4) | −0.0526 (2) | 0.60020 (9) | 0.0602 (7) | |
H30A | 0.4472 | 0.0094 | 0.6058 | 0.090* | |
H30B | 0.6577 | −0.0307 | 0.5886 | 0.090* | |
H30C | 0.5476 | −0.0914 | 0.6279 | 0.090* | |
C29 | 0.5415 (5) | −0.2195 (2) | 0.55553 (9) | 0.0682 (9) | |
H29A | 0.4740 | −0.2572 | 0.5316 | 0.102* | |
H29B | 0.5500 | −0.2646 | 0.5818 | 0.102* | |
H29C | 0.6749 | −0.2003 | 0.5459 | 0.102* |
U11 | U22 | U33 | U12 | U13 | U23 | |
O1 | 0.0342 (9) | 0.0670 (12) | 0.0505 (10) | −0.0023 (9) | 0.0095 (7) | 0.0005 (9) |
C12 | 0.0224 (9) | 0.0240 (9) | 0.0253 (9) | 0.0001 (8) | 0.0005 (8) | −0.0015 (7) |
C13 | 0.0244 (10) | 0.0249 (9) | 0.0235 (9) | −0.0017 (8) | −0.0005 (8) | 0.0017 (8) |
C20 | 0.0247 (10) | 0.0355 (11) | 0.0271 (10) | −0.0053 (9) | −0.0027 (8) | 0.0010 (8) |
C1 | 0.0284 (10) | 0.0345 (11) | 0.0218 (9) | 0.0027 (9) | 0.0022 (8) | 0.0033 (8) |
C22 | 0.0235 (10) | 0.0293 (10) | 0.0241 (9) | 0.0000 (9) | 0.0010 (7) | −0.0008 (8) |
C23 | 0.0283 (11) | 0.0367 (12) | 0.0252 (10) | 0.0011 (10) | 0.0005 (8) | 0.0009 (8) |
C14 | 0.0352 (11) | 0.0300 (11) | 0.0264 (10) | −0.0085 (10) | 0.0010 (9) | −0.0022 (8) |
C8 | 0.0260 (10) | 0.0274 (10) | 0.0231 (9) | 0.0009 (9) | 0.0001 (8) | 0.0005 (8) |
C7 | 0.0277 (10) | 0.0277 (10) | 0.0232 (9) | −0.0016 (9) | −0.0006 (8) | −0.0013 (8) |
C21 | 0.0264 (10) | 0.0410 (13) | 0.0311 (10) | −0.0063 (10) | −0.0011 (9) | 0.0056 (9) |
C16 | 0.0241 (10) | 0.0276 (11) | 0.0226 (9) | −0.0008 (9) | 0.0005 (8) | −0.0008 (8) |
C10 | 0.0332 (11) | 0.0344 (11) | 0.0226 (9) | −0.0061 (10) | −0.0027 (8) | −0.0028 (8) |
C2 | 0.0368 (12) | 0.0480 (14) | 0.0295 (11) | 0.0041 (11) | −0.0024 (9) | 0.0071 (10) |
C19 | 0.0297 (11) | 0.0381 (12) | 0.0312 (10) | 0.0084 (10) | 0.0017 (8) | 0.0008 (9) |
C24 | 0.0439 (13) | 0.0531 (14) | 0.0288 (11) | −0.0102 (13) | −0.0077 (9) | 0.0033 (10) |
C18 | 0.0220 (9) | 0.0257 (10) | 0.0249 (9) | −0.0009 (8) | 0.0002 (8) | −0.0012 (7) |
C4 | 0.0293 (11) | 0.0394 (12) | 0.0270 (10) | −0.0008 (10) | 0.0008 (9) | 0.0100 (9) |
C17 | 0.0235 (10) | 0.0340 (11) | 0.0280 (10) | 0.0027 (9) | 0.0009 (8) | 0.0006 (8) |
C25 | 0.0341 (12) | 0.0475 (13) | 0.0285 (10) | 0.0029 (11) | 0.0039 (9) | 0.0062 (9) |
C27 | 0.0550 (15) | 0.0335 (12) | 0.0292 (11) | −0.0028 (11) | −0.0042 (10) | 0.0002 (9) |
C15 | 0.0323 (11) | 0.0345 (11) | 0.0227 (9) | −0.0048 (10) | 0.0006 (8) | −0.0039 (8) |
C9 | 0.0404 (13) | 0.0295 (11) | 0.0344 (11) | 0.0068 (10) | 0.0023 (9) | 0.0009 (9) |
C3 | 0.0450 (13) | 0.0426 (13) | 0.0291 (10) | 0.0014 (12) | 0.0070 (9) | −0.0036 (9) |
C5 | 0.0398 (13) | 0.0412 (13) | 0.0318 (11) | −0.0118 (11) | 0.0016 (9) | 0.0066 (9) |
C11 | 0.0270 (10) | 0.0294 (11) | 0.0275 (10) | −0.0039 (9) | −0.0007 (8) | 0.0002 (8) |
C6 | 0.0355 (12) | 0.0360 (12) | 0.0275 (10) | −0.0091 (10) | 0.0003 (8) | 0.0017 (9) |
C26 | 0.0386 (13) | 0.0495 (13) | 0.0265 (10) | 0.0029 (12) | 0.0029 (9) | 0.0052 (9) |
C28 | 0.0503 (15) | 0.0356 (12) | 0.0366 (12) | 0.0074 (12) | 0.0054 (10) | 0.0028 (9) |
C30 | 0.0461 (15) | 0.0508 (16) | 0.0837 (18) | 0.0040 (14) | −0.0177 (14) | −0.0051 (14) |
C29 | 0.093 (2) | 0.0561 (17) | 0.0553 (15) | 0.0330 (19) | 0.0010 (16) | −0.0024 (13) |
O1—C4 | 1.212 (2) | C19—C18 | 1.549 (3) |
C12—C11 | 1.330 (3) | C19—H19A | 0.9800 |
C12—C18 | 1.523 (2) | C19—H19B | 0.9800 |
C12—C13 | 1.524 (3) | C19—H19C | 0.9800 |
C13—C14 | 1.534 (3) | C24—H24A | 0.9800 |
C13—C7 | 1.567 (2) | C24—H24B | 0.9800 |
C13—H13 | 1.0000 | C24—H24C | 0.9800 |
C20—C18 | 1.532 (3) | C4—C5 | 1.500 (3) |
C20—C21 | 1.551 (3) | C17—H17A | 0.9800 |
C20—H20A | 0.9900 | C17—H17B | 0.9800 |
C20—H20B | 0.9900 | C17—H17C | 0.9800 |
C1—C4 | 1.530 (3) | C25—C26 | 1.537 (3) |
C1—C3 | 1.531 (3) | C25—H25A | 0.9900 |
C1—C2 | 1.545 (3) | C25—H25B | 0.9900 |
C1—C8 | 1.572 (3) | C27—C28 | 1.322 (3) |
C22—C23 | 1.543 (3) | C27—C26 | 1.495 (3) |
C22—C21 | 1.554 (3) | C27—H27 | 0.9500 |
C22—C16 | 1.558 (2) | C15—H15A | 0.9900 |
C22—H22 | 1.0000 | C15—H15B | 0.9900 |
C23—C24 | 1.523 (3) | C9—H9A | 0.9800 |
C23—C25 | 1.546 (3) | C9—H9B | 0.9800 |
C23—H23 | 1.0000 | C9—H9C | 0.9800 |
C14—C15 | 1.558 (3) | C3—H3A | 0.9800 |
C14—H14A | 0.9900 | C3—H3B | 0.9800 |
C14—H14B | 0.9900 | C3—H3C | 0.9800 |
C8—C10 | 1.533 (3) | C5—C6 | 1.533 (3) |
C8—C7 | 1.561 (3) | C5—H5A | 0.9900 |
C8—H8 | 1.0000 | C5—H5B | 0.9900 |
C7—C9 | 1.530 (3) | C11—H11 | 0.9500 |
C7—C6 | 1.534 (3) | C6—H6A | 0.9900 |
C21—H21A | 0.9900 | C6—H6B | 0.9900 |
C21—H21B | 0.9900 | C26—H26A | 0.9900 |
C16—C17 | 1.536 (3) | C26—H26B | 0.9900 |
C16—C15 | 1.548 (3) | C28—C29 | 1.503 (3) |
C16—C18 | 1.563 (3) | C28—C30 | 1.506 (4) |
C10—C11 | 1.504 (3) | C30—H30A | 0.9800 |
C10—H10A | 0.9900 | C30—H30B | 0.9800 |
C10—H10B | 0.9900 | C30—H30C | 0.9800 |
C2—H2A | 0.9800 | C29—H29A | 0.9800 |
C2—H2B | 0.9800 | C29—H29B | 0.9800 |
C2—H2C | 0.9800 | C29—H29C | 0.9800 |
C11—C12—C18 | 121.86 (17) | H24A—C24—H24B | 109.5 |
C11—C12—C13 | 121.52 (16) | C23—C24—H24C | 109.5 |
C18—C12—C13 | 116.58 (15) | H24A—C24—H24C | 109.5 |
C12—C13—C14 | 111.58 (15) | H24B—C24—H24C | 109.5 |
C12—C13—C7 | 110.89 (14) | C12—C18—C20 | 116.96 (15) |
C14—C13—C7 | 114.97 (15) | C12—C18—C19 | 108.30 (15) |
C12—C13—H13 | 106.3 | C20—C18—C19 | 106.63 (15) |
C14—C13—H13 | 106.3 | C12—C18—C16 | 110.57 (15) |
C7—C13—H13 | 106.3 | C20—C18—C16 | 102.13 (14) |
C18—C20—C21 | 104.21 (15) | C19—C18—C16 | 112.19 (15) |
C18—C20—H20A | 110.9 | O1—C4—C5 | 120.9 (2) |
C21—C20—H20A | 110.9 | O1—C4—C1 | 122.41 (19) |
C18—C20—H20B | 110.9 | C5—C4—C1 | 116.70 (17) |
C21—C20—H20B | 110.9 | C16—C17—H17A | 109.5 |
H20A—C20—H20B | 108.9 | C16—C17—H17B | 109.5 |
C4—C1—C3 | 108.94 (17) | H17A—C17—H17B | 109.5 |
C4—C1—C2 | 106.22 (16) | C16—C17—H17C | 109.5 |
C3—C1—C2 | 107.81 (17) | H17A—C17—H17C | 109.5 |
C4—C1—C8 | 109.77 (15) | H17B—C17—H17C | 109.5 |
C3—C1—C8 | 108.75 (16) | C26—C25—C23 | 115.35 (18) |
C2—C1—C8 | 115.18 (16) | C26—C25—H25A | 108.4 |
C23—C22—C21 | 112.52 (16) | C23—C25—H25A | 108.4 |
C23—C22—C16 | 119.18 (16) | C26—C25—H25B | 108.4 |
C21—C22—C16 | 102.75 (14) | C23—C25—H25B | 108.4 |
C23—C22—H22 | 107.3 | H25A—C25—H25B | 107.5 |
C21—C22—H22 | 107.3 | C28—C27—C26 | 128.6 (2) |
C16—C22—H22 | 107.3 | C28—C27—H27 | 115.7 |
C24—C23—C22 | 112.86 (16) | C26—C27—H27 | 115.7 |
C24—C23—C25 | 110.24 (15) | C16—C15—C14 | 114.31 (15) |
C22—C23—C25 | 108.83 (16) | C16—C15—H15A | 108.7 |
C24—C23—H23 | 108.3 | C14—C15—H15A | 108.7 |
C22—C23—H23 | 108.3 | C16—C15—H15B | 108.7 |
C25—C23—H23 | 108.3 | C14—C15—H15B | 108.7 |
C13—C14—C15 | 114.25 (16) | H15A—C15—H15B | 107.6 |
C13—C14—H14A | 108.7 | C7—C9—H9A | 109.5 |
C15—C14—H14A | 108.7 | C7—C9—H9B | 109.5 |
C13—C14—H14B | 108.7 | H9A—C9—H9B | 109.5 |
C15—C14—H14B | 108.7 | C7—C9—H9C | 109.5 |
H14A—C14—H14B | 107.6 | H9A—C9—H9C | 109.5 |
C10—C8—C7 | 110.46 (15) | H9B—C9—H9C | 109.5 |
C10—C8—C1 | 112.34 (15) | C1—C3—H3A | 109.5 |
C7—C8—C1 | 117.82 (16) | C1—C3—H3B | 109.5 |
C10—C8—H8 | 105.0 | H3A—C3—H3B | 109.5 |
C7—C8—H8 | 105.0 | C1—C3—H3C | 109.5 |
C1—C8—H8 | 105.0 | H3A—C3—H3C | 109.5 |
C9—C7—C6 | 110.31 (16) | H3B—C3—H3C | 109.5 |
C9—C7—C8 | 113.61 (15) | C4—C5—C6 | 109.63 (17) |
C6—C7—C8 | 108.81 (16) | C4—C5—H5A | 109.7 |
C9—C7—C13 | 110.58 (15) | C6—C5—H5A | 109.7 |
C6—C7—C13 | 108.58 (15) | C4—C5—H5B | 109.7 |
C8—C7—C13 | 104.71 (15) | C6—C5—H5B | 109.7 |
C20—C21—C22 | 107.48 (16) | H5A—C5—H5B | 108.2 |
C20—C21—H21A | 110.2 | C12—C11—C10 | 124.33 (18) |
C22—C21—H21A | 110.2 | C12—C11—H11 | 117.8 |
C20—C21—H21B | 110.2 | C10—C11—H11 | 117.8 |
C22—C21—H21B | 110.2 | C5—C6—C7 | 112.82 (16) |
H21A—C21—H21B | 108.5 | C5—C6—H6A | 109.0 |
C17—C16—C15 | 110.34 (15) | C7—C6—H6A | 109.0 |
C17—C16—C22 | 108.20 (15) | C5—C6—H6B | 109.0 |
C15—C16—C22 | 117.18 (15) | C7—C6—H6B | 109.0 |
C17—C16—C18 | 110.51 (14) | H6A—C6—H6B | 107.8 |
C15—C16—C18 | 108.96 (15) | C27—C26—C25 | 113.08 (17) |
C22—C16—C18 | 101.26 (14) | C27—C26—H26A | 109.0 |
C11—C10—C8 | 112.26 (15) | C25—C26—H26A | 109.0 |
C11—C10—H10A | 109.2 | C27—C26—H26B | 109.0 |
C8—C10—H10A | 109.2 | C25—C26—H26B | 109.0 |
C11—C10—H10B | 109.2 | H26A—C26—H26B | 107.8 |
C8—C10—H10B | 109.2 | C27—C28—C29 | 122.1 (2) |
H10A—C10—H10B | 107.9 | C27—C28—C30 | 124.1 (2) |
C1—C2—H2A | 109.5 | C29—C28—C30 | 113.8 (2) |
C1—C2—H2B | 109.5 | C28—C30—H30A | 109.5 |
H2A—C2—H2B | 109.5 | C28—C30—H30B | 109.5 |
C1—C2—H2C | 109.5 | H30A—C30—H30B | 109.5 |
H2A—C2—H2C | 109.5 | C28—C30—H30C | 109.5 |
H2B—C2—H2C | 109.5 | H30A—C30—H30C | 109.5 |
C18—C19—H19A | 109.5 | H30B—C30—H30C | 109.5 |
C18—C19—H19B | 109.5 | C28—C29—H29A | 109.5 |
H19A—C19—H19B | 109.5 | C28—C29—H29B | 109.5 |
C18—C19—H19C | 109.5 | H29A—C29—H29B | 109.5 |
H19A—C19—H19C | 109.5 | C28—C29—H29C | 109.5 |
H19B—C19—H19C | 109.5 | H29A—C29—H29C | 109.5 |
C23—C24—H24A | 109.5 | H29B—C29—H29C | 109.5 |
C23—C24—H24B | 109.5 | ||
C11—C12—C13—C14 | 155.24 (19) | C11—C12—C18—C19 | −89.0 (2) |
C18—C12—C13—C14 | −22.5 (2) | C13—C12—C18—C19 | 88.71 (19) |
C11—C12—C13—C7 | 25.7 (2) | C11—C12—C18—C16 | 147.66 (19) |
C18—C12—C13—C7 | −152.07 (16) | C13—C12—C18—C16 | −34.6 (2) |
C21—C22—C23—C24 | 178.64 (17) | C21—C20—C18—C12 | 157.07 (17) |
C16—C22—C23—C24 | 58.3 (2) | C21—C20—C18—C19 | −81.63 (17) |
C21—C22—C23—C25 | −58.6 (2) | C21—C20—C18—C16 | 36.24 (18) |
C16—C22—C23—C25 | −178.99 (17) | C17—C16—C18—C12 | −58.0 (2) |
C12—C13—C14—C15 | 52.9 (2) | C15—C16—C18—C12 | 63.41 (19) |
C7—C13—C14—C15 | −179.75 (17) | C22—C16—C18—C12 | −172.48 (15) |
C4—C1—C8—C10 | 171.42 (16) | C17—C16—C18—C20 | 67.18 (17) |
C3—C1—C8—C10 | −69.5 (2) | C15—C16—C18—C20 | −171.43 (14) |
C2—C1—C8—C10 | 51.6 (2) | C22—C16—C18—C20 | −47.31 (17) |
C4—C1—C8—C7 | 41.3 (2) | C17—C16—C18—C19 | −179.00 (15) |
C3—C1—C8—C7 | 160.41 (17) | C15—C16—C18—C19 | −57.60 (19) |
C2—C1—C8—C7 | −78.5 (2) | C22—C16—C18—C19 | 66.51 (19) |
C10—C8—C7—C9 | −54.2 (2) | C3—C1—C4—O1 | 15.5 (3) |
C1—C8—C7—C9 | 76.8 (2) | C2—C1—C4—O1 | −100.4 (2) |
C10—C8—C7—C6 | −177.47 (15) | C8—C1—C4—O1 | 134.5 (2) |
C1—C8—C7—C6 | −46.5 (2) | C3—C1—C4—C5 | −164.75 (17) |
C10—C8—C7—C13 | 66.59 (18) | C2—C1—C4—C5 | 79.4 (2) |
C1—C8—C7—C13 | −162.45 (16) | C8—C1—C4—C5 | −45.8 (2) |
C12—C13—C7—C9 | 66.72 (19) | C24—C23—C25—C26 | −54.4 (2) |
C14—C13—C7—C9 | −61.0 (2) | C22—C23—C25—C26 | −178.70 (17) |
C12—C13—C7—C6 | −172.13 (15) | C17—C16—C15—C14 | 88.0 (2) |
C14—C13—C7—C6 | 60.1 (2) | C22—C16—C15—C14 | −147.59 (17) |
C12—C13—C7—C8 | −56.02 (19) | C18—C16—C15—C14 | −33.5 (2) |
C14—C13—C7—C8 | 176.25 (16) | C13—C14—C15—C16 | −23.3 (2) |
C18—C20—C21—C22 | −11.8 (2) | O1—C4—C5—C6 | −124.4 (2) |
C23—C22—C21—C20 | −146.86 (17) | C1—C4—C5—C6 | 55.9 (2) |
C16—C22—C21—C20 | −17.4 (2) | C18—C12—C11—C10 | 176.57 (18) |
C23—C22—C16—C17 | 48.2 (2) | C13—C12—C11—C10 | −1.1 (3) |
C21—C22—C16—C17 | −76.94 (18) | C8—C10—C11—C12 | 10.1 (3) |
C23—C22—C16—C15 | −77.2 (2) | C4—C5—C6—C7 | −60.2 (2) |
C21—C22—C16—C15 | 157.60 (16) | C9—C7—C6—C5 | −70.4 (2) |
C23—C22—C16—C18 | 164.44 (16) | C8—C7—C6—C5 | 54.9 (2) |
C21—C22—C16—C18 | 39.26 (18) | C13—C7—C6—C5 | 168.28 (17) |
C7—C8—C10—C11 | −43.8 (2) | C28—C27—C26—C25 | 133.3 (2) |
C1—C8—C10—C11 | −177.62 (16) | C23—C25—C26—C27 | −56.6 (3) |
C11—C12—C18—C20 | 31.4 (3) | C26—C27—C28—C29 | −178.0 (2) |
C13—C12—C18—C20 | −150.86 (16) | C26—C27—C28—C30 | 3.1 (4) |