Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801019122/dn6009sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536801019122/dn6009Isup2.hkl |
CCDC reference: 177213
Data collection: KappaCCD Reference Manual (Nonius, 1998); data reduction: DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
C31H48O4 | F(000) = 532 |
Mr = 484.70 | Dx = 1.116 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71070 Å |
a = 11.5140 (6) Å | Cell parameters from 10461 reflections |
b = 11.2070 (4) Å | θ = 1–26.4° |
c = 11.8480 (6) Å | µ = 0.07 mm−1 |
β = 109.341 (2)° | T = 293 K |
V = 1442.55 (12) Å3 | Plaquette, jaune |
Z = 2 | 0.25 × 0.15 × 0.05 mm |
KappaCCD diffractometer | 2701 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.041 |
Graphite monochromator | θmax = 26.5°, θmin = 3.5° |
φ scans | h = 0→14 |
3016 measured reflections | k = 0→12 |
3016 independent reflections | l = −14→13 |
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)] = 0.054 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.144 | H-atom parameters constrained |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0747P)2 + 0.2831P] where P = (Fo2 + 2Fc2)/3 |
3016 reflections | (Δ/σ)max = 0.002 |
324 parameters | Δρmax = 0.25 e Å−3 |
1 restraint | Δρmin = −0.22 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 | Occ. (<1) | |
O1 | 1.0906 (3) | 0.7847 (3) | 0.1649 (2) | 0.0838 (9) | |
O2 | 0.6710 (2) | 0.6292 (4) | 0.3021 (2) | 0.0943 (11) | |
O3 | 1.1542 (3) | 0.7216 (2) | 0.7831 (2) | 0.0643 (6) | |
O4 | 1.1637 (3) | 0.5310 (3) | 0.8389 (2) | 0.0883 (9) | |
C1 | 0.8927 (3) | 0.6350 (3) | 0.5043 (3) | 0.0567 (8) | |
H1A | 0.8051 | 0.6275 | 0.4903 | 0.068* | |
H1B | 0.9230 | 0.5575 | 0.4903 | 0.068* | |
C2 | 0.9574 (3) | 0.6711 (3) | 0.6344 (3) | 0.0607 (8) | |
H2A | 0.9221 | 0.7449 | 0.6510 | 0.073* | |
H2B | 0.9446 | 0.6099 | 0.6870 | 0.073* | |
C3 | 1.0934 (3) | 0.6877 (3) | 0.6588 (3) | 0.0543 (7) | |
H3 | 1.1283 | 0.6120 | 0.6439 | 0.065* | |
C4 | 1.1190 (3) | 0.7828 (3) | 0.5793 (3) | 0.0527 (7) | |
H4 | 1.0825 | 0.8580 | 0.5931 | 0.063* | |
C5 | 1.0540 (3) | 0.7440 (3) | 0.4486 (3) | 0.0486 (7) | |
H5 | 1.0881 | 0.6656 | 0.4405 | 0.058* | |
C6 | 1.0807 (3) | 0.8241 (3) | 0.3561 (3) | 0.0595 (8) | |
H6A | 1.0404 | 0.9006 | 0.3536 | 0.071* | |
H6B | 1.1686 | 0.8382 | 0.3791 | 0.071* | |
C7 | 1.0360 (3) | 0.7680 (3) | 0.2351 (3) | 0.0525 (7) | |
C8 | 0.9234 (3) | 0.6910 (3) | 0.2047 (2) | 0.0454 (6) | |
C9 | 0.8652 (3) | 0.6749 (3) | 0.2868 (3) | 0.0469 (6) | |
C10 | 0.9131 (3) | 0.7257 (3) | 0.4145 (3) | 0.0475 (6) | |
C11 | 0.7423 (3) | 0.6138 (3) | 0.2473 (3) | 0.0603 (8) | |
C12 | 0.7044 (3) | 0.5411 (4) | 0.1342 (3) | 0.0619 (8) | |
H12A | 0.6163 | 0.5276 | 0.1072 | 0.074* | |
H12B | 0.7454 | 0.4642 | 0.1489 | 0.074* | |
C13 | 0.7400 (3) | 0.6087 (3) | 0.0380 (3) | 0.0477 (6) | |
C14 | 0.8822 (3) | 0.6256 (3) | 0.0855 (2) | 0.0463 (6) | |
C15 | 0.9022 (3) | 0.6821 (4) | −0.0254 (3) | 0.0639 (9) | |
H15A | 0.8815 | 0.7663 | −0.0315 | 0.077* | |
H15B | 0.9868 | 0.6728 | −0.0227 | 0.077* | |
C16 | 0.8144 (3) | 0.6120 (4) | −0.1294 (3) | 0.0624 (9) | |
H16A | 0.8600 | 0.5543 | −0.1593 | 0.075* | |
H16B | 0.7721 | 0.6657 | −0.1941 | 0.075* | |
C17 | 0.7199 (3) | 0.5468 (3) | −0.0830 (2) | 0.0512 (7) | |
H17 | 0.7471 | 0.4639 | −0.0664 | 0.061* | |
C18 | 0.6737 (3) | 0.7306 (3) | 0.0176 (3) | 0.0654 (9) | |
H18A | 0.6873 | 0.7704 | −0.0487 | 0.098* | |
H18B | 0.7056 | 0.7786 | 0.0883 | 0.098* | |
H18C | 0.5871 | 0.7185 | 0.0006 | 0.098* | |
C19 | 0.8430 (4) | 0.8417 (3) | 0.4169 (3) | 0.0685 (9) | |
H19A | 0.8759 | 0.8780 | 0.4944 | 0.103* | |
H19B | 0.7574 | 0.8240 | 0.4006 | 0.103* | |
H19C | 0.8518 | 0.8955 | 0.3572 | 0.103* | |
C20 | 0.5900 (3) | 0.5448 (4) | −0.1771 (3) | 0.0639 (9) | |
H20 | 0.5627 | 0.6276 | −0.1951 | 0.077* | |
C21 | 0.4967 (4) | 0.4809 (6) | −0.1320 (4) | 0.1006 (17) | |
H21A | 0.4861 | 0.5250 | −0.0667 | 0.151* | |
H21B | 0.5261 | 0.4022 | −0.1054 | 0.151* | |
H21C | 0.4193 | 0.4754 | −0.1957 | 0.151* | |
C22 | 0.5919 (4) | 0.4870 (4) | −0.2920 (3) | 0.0755 (10) | |
H22A | 0.5971 | 0.4012 | −0.2809 | 0.091* | |
H22B | 0.6655 | 0.5127 | −0.3078 | 0.091* | |
C23 | 0.4808 (4) | 0.5155 (5) | −0.4004 (3) | 0.0870 (13) | |
H23A | 0.4077 | 0.4859 | −0.3861 | 0.104* | |
H23B | 0.4730 | 0.6016 | −0.4085 | 0.104* | |
C24 | 0.4839 (5) | 0.4656 (5) | −0.5146 (4) | 0.0999 (15) | |
H24A | 0.4943 | 0.3798 | −0.5059 | 0.120* | |
H24B | 0.5553 | 0.4973 | −0.5305 | 0.120* | |
C25 | 0.3706 (6) | 0.4912 (7) | −0.6216 (4) | 0.1123 (19) | |
H25 | 0.2963 | 0.4693 | −0.6036 | 0.135* | |
C26 | 0.3784 (10) | 0.4181 (9) | −0.7295 (6) | 0.217 (6) | |
H26A | 0.3547 | 0.3371 | −0.7224 | 0.260* | |
H26B | 0.4612 | 0.4198 | −0.7308 | 0.260* | |
H26C | 0.3240 | 0.4520 | −0.8022 | 0.260* | |
C27 | 0.3648 (7) | 0.6215 (7) | −0.6579 (5) | 0.139 (3) | |
H27A | 0.2880 | 0.6370 | −0.7199 | 0.167* | |
H27B | 0.4315 | 0.6392 | −0.6868 | 0.167* | |
H27C | 0.3712 | 0.6709 | −0.5898 | 0.167* | |
C28 | 0.9560 (3) | 0.5076 (3) | 0.1104 (3) | 0.0662 (9) | |
H28A | 0.9372 | 0.4624 | 0.0377 | 0.079* | |
H28B | 0.9342 | 0.4621 | 0.1690 | 0.079* | |
H28C | 1.0425 | 0.5250 | 0.1399 | 0.079* | |
C29 | 1.2568 (4) | 0.8017 (4) | 0.6074 (3) | 0.0749 (10) | |
H29A | 1.2703 | 0.8713 | 0.5661 | 0.090* | |
H29B | 1.2916 | 0.7332 | 0.5818 | 0.090* | |
H29C | 1.2953 | 0.8125 | 0.6920 | 0.090* | |
C30 | 1.1867 (3) | 0.6334 (4) | 0.8633 (3) | 0.0629 (8) | |
C31 | 1.2561 (4) | 0.6798 (5) | 0.9849 (3) | 0.0827 (12) | |
H31A | 1.2613 | 0.7652 | 0.9820 | 0.124* | 0.26 |
H31B | 1.3375 | 0.6465 | 1.0114 | 0.124* | 0.26 |
H31C | 1.2141 | 0.6577 | 1.0395 | 0.124* | 0.26 |
H31D | 1.2816 | 0.6147 | 1.0409 | 0.124* | 0.74 |
H31E | 1.2047 | 0.7333 | 1.0114 | 0.124* | 0.74 |
H31F | 1.3281 | 0.7226 | 0.9827 | 0.124* | 0.74 |
U11 | U22 | U33 | U12 | U13 | U23 | |
O1 | 0.0814 (16) | 0.125 (2) | 0.0592 (14) | −0.0405 (17) | 0.0418 (12) | −0.0114 (15) |
O2 | 0.0695 (15) | 0.157 (3) | 0.0735 (16) | −0.0250 (19) | 0.0468 (13) | −0.0203 (19) |
O3 | 0.0958 (17) | 0.0517 (13) | 0.0463 (12) | 0.0027 (12) | 0.0248 (11) | −0.0066 (10) |
O4 | 0.127 (2) | 0.0659 (18) | 0.0645 (15) | 0.0083 (16) | 0.0214 (15) | 0.0121 (14) |
C1 | 0.0746 (19) | 0.0541 (17) | 0.0509 (16) | −0.0086 (15) | 0.0337 (15) | 0.0015 (14) |
C2 | 0.090 (2) | 0.0528 (18) | 0.0513 (17) | −0.0069 (16) | 0.0401 (17) | 0.0010 (14) |
C3 | 0.082 (2) | 0.0422 (15) | 0.0427 (15) | 0.0048 (14) | 0.0266 (14) | −0.0045 (12) |
C4 | 0.0685 (18) | 0.0446 (16) | 0.0513 (16) | −0.0039 (13) | 0.0284 (14) | −0.0062 (12) |
C5 | 0.0663 (17) | 0.0407 (15) | 0.0460 (15) | −0.0023 (13) | 0.0283 (13) | −0.0015 (11) |
C6 | 0.075 (2) | 0.0578 (19) | 0.0547 (18) | −0.0194 (16) | 0.0340 (15) | −0.0026 (14) |
C7 | 0.0605 (17) | 0.0547 (17) | 0.0503 (16) | −0.0051 (13) | 0.0289 (14) | 0.0060 (13) |
C8 | 0.0511 (14) | 0.0450 (15) | 0.0460 (14) | 0.0030 (12) | 0.0240 (12) | 0.0057 (12) |
C9 | 0.0542 (15) | 0.0453 (15) | 0.0478 (15) | 0.0023 (12) | 0.0256 (12) | 0.0045 (12) |
C10 | 0.0601 (16) | 0.0432 (15) | 0.0482 (16) | 0.0007 (12) | 0.0301 (13) | 0.0037 (12) |
C11 | 0.0611 (17) | 0.075 (2) | 0.0530 (17) | −0.0074 (16) | 0.0304 (14) | 0.0061 (16) |
C12 | 0.0642 (18) | 0.075 (2) | 0.0517 (17) | −0.0161 (17) | 0.0268 (14) | 0.0019 (16) |
C13 | 0.0483 (14) | 0.0535 (17) | 0.0461 (15) | 0.0018 (12) | 0.0219 (12) | 0.0070 (12) |
C14 | 0.0479 (13) | 0.0521 (16) | 0.0441 (14) | −0.0005 (12) | 0.0221 (11) | 0.0024 (12) |
C15 | 0.0642 (18) | 0.089 (2) | 0.0456 (16) | −0.0126 (18) | 0.0272 (14) | 0.0039 (16) |
C16 | 0.0631 (18) | 0.086 (2) | 0.0429 (16) | −0.0036 (17) | 0.0243 (13) | 0.0039 (16) |
C17 | 0.0507 (15) | 0.0595 (18) | 0.0452 (15) | 0.0040 (13) | 0.0181 (12) | 0.0056 (13) |
C18 | 0.0642 (18) | 0.068 (2) | 0.064 (2) | 0.0167 (17) | 0.0203 (16) | 0.0040 (16) |
C19 | 0.084 (2) | 0.060 (2) | 0.070 (2) | 0.0135 (18) | 0.0368 (19) | −0.0005 (17) |
C20 | 0.0542 (17) | 0.082 (2) | 0.0528 (17) | 0.0026 (16) | 0.0138 (14) | 0.0035 (17) |
C21 | 0.069 (2) | 0.157 (5) | 0.075 (3) | −0.035 (3) | 0.022 (2) | −0.007 (3) |
C22 | 0.071 (2) | 0.093 (3) | 0.056 (2) | 0.006 (2) | 0.0126 (16) | −0.006 (2) |
C23 | 0.066 (2) | 0.118 (4) | 0.068 (2) | 0.001 (2) | 0.0102 (18) | −0.008 (3) |
C24 | 0.109 (3) | 0.110 (4) | 0.062 (2) | 0.024 (3) | 0.005 (2) | −0.005 (2) |
C25 | 0.111 (4) | 0.140 (5) | 0.069 (3) | −0.022 (4) | 0.008 (3) | −0.008 (3) |
C26 | 0.290 (13) | 0.162 (8) | 0.109 (5) | 0.069 (8) | −0.054 (6) | −0.069 (6) |
C27 | 0.162 (6) | 0.153 (6) | 0.085 (4) | 0.065 (5) | 0.017 (4) | −0.001 (4) |
C28 | 0.0626 (18) | 0.067 (2) | 0.064 (2) | 0.0157 (16) | 0.0149 (15) | −0.0065 (17) |
C29 | 0.075 (2) | 0.096 (3) | 0.056 (2) | −0.016 (2) | 0.0245 (17) | −0.016 (2) |
C30 | 0.078 (2) | 0.062 (2) | 0.0520 (18) | 0.0083 (17) | 0.0255 (16) | −0.0006 (16) |
C31 | 0.087 (3) | 0.103 (3) | 0.058 (2) | 0.006 (2) | 0.0230 (19) | −0.002 (2) |
O1—C7 | 1.212 (4) | C17—H17 | 0.9800 |
O2—C11 | 1.216 (4) | C18—H18A | 0.9600 |
O3—C30 | 1.336 (4) | C18—H18B | 0.9600 |
O3—C3 | 1.456 (4) | C18—H18C | 0.9600 |
O4—C30 | 1.192 (5) | C19—H19A | 0.9600 |
C1—C2 | 1.529 (4) | C19—H19B | 0.9600 |
C1—C10 | 1.545 (4) | C19—H19C | 0.9600 |
C1—H1A | 0.9700 | C20—C22 | 1.515 (5) |
C1—H1B | 0.9700 | C20—C21 | 1.527 (6) |
C2—C3 | 1.507 (5) | C20—H20 | 0.9800 |
C2—H2A | 0.9700 | C21—H21A | 0.9600 |
C2—H2B | 0.9700 | C21—H21B | 0.9600 |
C3—C4 | 1.515 (4) | C21—H21C | 0.9600 |
C3—H3 | 0.9800 | C22—C23 | 1.517 (5) |
C4—C29 | 1.524 (5) | C22—H22A | 0.9700 |
C4—C5 | 1.542 (4) | C22—H22B | 0.9700 |
C4—H4 | 0.9800 | C23—C24 | 1.476 (7) |
C5—C6 | 1.525 (4) | C23—H23A | 0.9700 |
C5—C10 | 1.550 (4) | C23—H23B | 0.9700 |
C5—H5 | 0.9800 | C24—C25 | 1.515 (7) |
C6—C7 | 1.492 (4) | C24—H24A | 0.9700 |
C6—H6A | 0.9700 | C24—H24B | 0.9700 |
C6—H6B | 0.9700 | C25—C27 | 1.518 (10) |
C7—C8 | 1.499 (4) | C25—C26 | 1.544 (9) |
C8—C9 | 1.363 (4) | C25—H25 | 0.9800 |
C8—C14 | 1.520 (4) | C26—H26A | 0.9600 |
C9—C11 | 1.501 (4) | C26—H26B | 0.9600 |
C9—C10 | 1.538 (4) | C26—H26C | 0.9600 |
C10—C19 | 1.535 (4) | C27—H27A | 0.9600 |
C11—C12 | 1.505 (5) | C27—H27B | 0.9600 |
C12—C13 | 1.533 (4) | C27—H27C | 0.9600 |
C12—H12A | 0.9700 | C28—H28A | 0.9600 |
C12—H12B | 0.9700 | C28—H28B | 0.9600 |
C13—C17 | 1.540 (4) | C28—H28C | 0.9600 |
C13—C18 | 1.543 (5) | C29—H29A | 0.9600 |
C13—C14 | 1.557 (4) | C29—H29B | 0.9600 |
C14—C15 | 1.543 (4) | C29—H29C | 0.9600 |
C14—C28 | 1.547 (5) | C30—C31 | 1.490 (5) |
C15—C16 | 1.528 (5) | C31—H31A | 0.9600 |
C15—H15A | 0.9700 | C31—H31B | 0.9600 |
C15—H15B | 0.9700 | C31—H31C | 0.9600 |
C16—C17 | 1.555 (4) | C31—H31D | 0.9649 |
C16—H16A | 0.9700 | C31—H31E | 0.9648 |
C16—H16B | 0.9700 | C31—H31F | 0.9648 |
C17—C20 | 1.541 (4) | ||
C30—O3—C3 | 117.0 (3) | C13—C17—H17 | 107.5 |
C2—C1—C10 | 112.7 (3) | C20—C17—H17 | 107.5 |
C2—C1—H1A | 109.1 | C16—C17—H17 | 107.5 |
C10—C1—H1A | 109.1 | C13—C18—H18A | 109.5 |
C2—C1—H1B | 109.1 | C13—C18—H18B | 109.5 |
C10—C1—H1B | 109.1 | H18A—C18—H18B | 109.5 |
H1A—C1—H1B | 107.8 | C13—C18—H18C | 109.5 |
C3—C2—C1 | 110.8 (2) | H18A—C18—H18C | 109.5 |
C3—C2—H2A | 109.5 | H18B—C18—H18C | 109.5 |
C1—C2—H2A | 109.5 | C10—C19—H19A | 109.5 |
C3—C2—H2B | 109.5 | C10—C19—H19B | 109.5 |
C1—C2—H2B | 109.5 | H19A—C19—H19B | 109.5 |
H2A—C2—H2B | 108.1 | C10—C19—H19C | 109.5 |
O3—C3—C2 | 110.3 (2) | H19A—C19—H19C | 109.5 |
O3—C3—C4 | 108.6 (3) | H19B—C19—H19C | 109.5 |
C2—C3—C4 | 111.8 (3) | C22—C20—C21 | 109.6 (4) |
O3—C3—H3 | 108.7 | C22—C20—C17 | 110.9 (3) |
C2—C3—H3 | 108.7 | C21—C20—C17 | 112.3 (3) |
C4—C3—H3 | 108.7 | C22—C20—H20 | 107.9 |
C3—C4—C29 | 111.4 (3) | C21—C20—H20 | 107.9 |
C3—C4—C5 | 107.2 (2) | C17—C20—H20 | 107.9 |
C29—C4—C5 | 112.5 (3) | C20—C21—H21A | 109.5 |
C3—C4—H4 | 108.5 | C20—C21—H21B | 109.5 |
C29—C4—H4 | 108.5 | H21A—C21—H21B | 109.5 |
C5—C4—H4 | 108.5 | C20—C21—H21C | 109.5 |
C6—C5—C4 | 114.1 (3) | H21A—C21—H21C | 109.5 |
C6—C5—C10 | 109.4 (3) | H21B—C21—H21C | 109.5 |
C4—C5—C10 | 114.7 (2) | C20—C22—C23 | 114.3 (3) |
C6—C5—H5 | 106.0 | C20—C22—H22A | 108.7 |
C4—C5—H5 | 106.0 | C23—C22—H22A | 108.7 |
C10—C5—H5 | 106.0 | C20—C22—H22B | 108.7 |
C7—C6—C5 | 110.8 (3) | C23—C22—H22B | 108.7 |
C7—C6—H6A | 109.5 | H22A—C22—H22B | 107.6 |
C5—C6—H6A | 109.5 | C24—C23—C22 | 115.2 (4) |
C7—C6—H6B | 109.5 | C24—C23—H23A | 108.5 |
C5—C6—H6B | 109.5 | C22—C23—H23A | 108.5 |
H6A—C6—H6B | 108.1 | C24—C23—H23B | 108.5 |
O1—C7—C6 | 120.1 (3) | C22—C23—H23B | 108.5 |
O1—C7—C8 | 121.9 (3) | H23A—C23—H23B | 107.5 |
C6—C7—C8 | 118.0 (2) | C23—C24—C25 | 114.8 (5) |
C9—C8—C7 | 119.7 (3) | C23—C24—H24A | 108.6 |
C9—C8—C14 | 121.6 (3) | C25—C24—H24A | 108.6 |
C7—C8—C14 | 118.6 (2) | C23—C24—H24B | 108.6 |
C8—C9—C11 | 118.2 (3) | C25—C24—H24B | 108.6 |
C8—C9—C10 | 123.5 (3) | H24A—C24—H24B | 107.5 |
C11—C9—C10 | 118.0 (2) | C24—C25—C27 | 111.4 (5) |
C19—C10—C9 | 108.2 (3) | C24—C25—C26 | 108.8 (6) |
C19—C10—C1 | 110.1 (2) | C27—C25—C26 | 106.6 (6) |
C9—C10—C1 | 110.3 (2) | C24—C25—H25 | 110.0 |
C19—C10—C5 | 113.3 (3) | C27—C25—H25 | 110.0 |
C9—C10—C5 | 108.0 (2) | C26—C25—H25 | 110.0 |
C1—C10—C5 | 107.0 (2) | C25—C26—H26A | 109.5 |
O2—C11—C9 | 120.2 (3) | C25—C26—H26B | 109.5 |
O2—C11—C12 | 120.3 (3) | H26A—C26—H26B | 109.5 |
C9—C11—C12 | 119.3 (3) | C25—C26—H26C | 109.5 |
C11—C12—C13 | 108.9 (3) | H26A—C26—H26C | 109.5 |
C11—C12—H12A | 109.9 | H26B—C26—H26C | 109.5 |
C13—C12—H12A | 109.9 | C25—C27—H27A | 109.5 |
C11—C12—H12B | 109.9 | C25—C27—H27B | 109.5 |
C13—C12—H12B | 109.9 | H27A—C27—H27B | 109.5 |
H12A—C12—H12B | 108.3 | C25—C27—H27C | 109.5 |
C12—C13—C17 | 118.3 (3) | H27A—C27—H27C | 109.5 |
C12—C13—C18 | 108.3 (3) | H27B—C27—H27C | 109.5 |
C17—C13—C18 | 109.8 (3) | C14—C28—H28A | 109.5 |
C12—C13—C14 | 107.4 (2) | C14—C28—H28B | 109.5 |
C17—C13—C14 | 101.9 (2) | H28A—C28—H28B | 109.5 |
C18—C13—C14 | 110.8 (3) | C14—C28—H28C | 109.5 |
C8—C14—C15 | 120.3 (3) | H28A—C28—H28C | 109.5 |
C8—C14—C28 | 104.6 (2) | H28B—C28—H28C | 109.5 |
C15—C14—C28 | 106.6 (3) | C4—C29—H29A | 109.5 |
C8—C14—C13 | 111.2 (2) | C4—C29—H29B | 109.5 |
C15—C14—C13 | 100.3 (2) | H29A—C29—H29B | 109.5 |
C28—C14—C13 | 114.2 (3) | C4—C29—H29C | 109.5 |
C16—C15—C14 | 103.3 (3) | H29A—C29—H29C | 109.5 |
C16—C15—H15A | 111.1 | H29B—C29—H29C | 109.5 |
C14—C15—H15A | 111.1 | O4—C30—O3 | 123.5 (3) |
C16—C15—H15B | 111.1 | O4—C30—C31 | 125.1 (4) |
C14—C15—H15B | 111.1 | O3—C30—C31 | 111.3 (4) |
H15A—C15—H15B | 109.1 | C30—C31—H31A | 109.5 |
C15—C16—C17 | 108.1 (2) | C30—C31—H31B | 109.5 |
C15—C16—H16A | 110.1 | C30—C31—H31C | 109.5 |
C17—C16—H16A | 110.1 | C30—C31—H31D | 110.1 |
C15—C16—H16B | 110.1 | C30—C31—H31E | 110.0 |
C17—C16—H16B | 110.1 | H31D—C31—H31E | 109.0 |
H16A—C16—H16B | 108.4 | C30—C31—H31F | 109.8 |
C13—C17—C20 | 119.4 (2) | H31D—C31—H31F | 109.0 |
C13—C17—C16 | 102.2 (2) | H31E—C31—H31F | 109.0 |
C20—C17—C16 | 112.1 (2) |