Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807003625/at2211sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807003625/at2211Isup2.hkl |
CCDC reference: 640237
Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
C15H18O6 | F(000) = 624 |
Mr = 294.29 | Dx = 1.310 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2yb | Cell parameters from 25 reflections |
a = 7.5400 (15) Å | θ = 9–12° |
b = 26.500 (5) Å | µ = 0.10 mm−1 |
c = 8.2100 (16) Å | T = 291 K |
β = 114.50 (3)° | Block, colourless |
V = 1492.7 (6) Å3 | 0.30 × 0.26 × 0.24 mm |
Z = 4 |
Bruker SMART APEX CCD area-detector diffractometer | 3323 independent reflections |
Radiation source: sealed tube | 2549 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.072 |
φ and ω scans | θmax = 27.0°, θmin = 2.7° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −7→9 |
Tmin = 0.97, Tmax = 0.97 | k = −22→33 |
8736 measured reflections | l = −10→10 |
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)] = 0.066 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.150 | H-atom parameters constrained |
S = 1.05 | w = 1/[σ2(Fo2) + (0.05P)2 + 0.99P] where P = (Fo2 + 2Fc2)/3 |
3323 reflections | (Δ/σ)max < 0.001 |
384 parameters | Δρmax = 0.22 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 | ||
C1 | 1.1727 (9) | 0.8725 (3) | 0.2846 (8) | 0.0476 (15) | |
C2 | 1.2078 (10) | 0.8236 (3) | 0.2463 (10) | 0.0588 (18) | |
H2 | 1.1083 | 0.8049 | 0.1606 | 0.071* | |
C3 | 1.3215 (9) | 0.9006 (3) | 0.4137 (9) | 0.0525 (16) | |
H3 | 1.2977 | 0.9334 | 0.4391 | 0.063* | |
C4 | 1.5069 (10) | 0.8793 (3) | 0.5049 (9) | 0.0494 (14) | |
H4 | 1.6074 | 0.8975 | 0.5914 | 0.059* | |
C5 | 1.5359 (9) | 0.8301 (2) | 0.4621 (8) | 0.0450 (13) | |
H5 | 1.6580 | 0.8154 | 0.5214 | 0.054* | |
C6 | 1.3898 (9) | 0.8026 (3) | 0.3352 (9) | 0.0563 (17) | |
H6 | 1.4137 | 0.7699 | 0.3091 | 0.068* | |
C7 | 0.9717 (9) | 0.8899 (2) | 0.1815 (8) | 0.0450 (13) | |
H7 | 0.9106 | 0.8651 | 0.0859 | 0.054* | |
C8 | 0.7349 (8) | 0.9511 (2) | 0.0707 (7) | 0.0386 (12) | |
H8 | 0.6446 | 0.9518 | −0.0562 | 0.046* | |
C9 | 0.6764 (8) | 0.9106 (2) | 0.1749 (8) | 0.0424 (13) | |
H9 | 0.5984 | 0.9232 | 0.2366 | 0.051* | |
C10 | 0.7397 (9) | 1.0013 (2) | 0.1624 (8) | 0.0443 (14) | |
C11 | 0.5422 (8) | 1.0611 (2) | 0.2281 (7) | 0.0406 (12) | |
H11A | 0.5443 | 1.0888 | 0.1517 | 0.049* | |
H11B | 0.6462 | 1.0659 | 0.3462 | 0.049* | |
C12 | 0.3415 (8) | 1.0580 (2) | 0.2387 (8) | 0.0453 (14) | |
H12A | 0.2841 | 1.0255 | 0.1972 | 0.068* | |
H12B | 0.2572 | 1.0839 | 0.1650 | 0.068* | |
H12C | 0.3593 | 1.0627 | 0.3605 | 0.068* | |
C13 | 0.5855 (8) | 0.8668 (2) | 0.0464 (7) | 0.0388 (12) | |
C14 | 0.2761 (9) | 0.8399 (2) | −0.1768 (8) | 0.0456 (14) | |
H14A | 0.2960 | 0.8079 | −0.1144 | 0.055* | |
H14B | 0.3141 | 0.8359 | −0.2754 | 0.055* | |
C15 | 0.0596 (9) | 0.8546 (2) | −0.2501 (8) | 0.0442 (14) | |
H15A | 0.0318 | 0.8685 | −0.1553 | 0.066* | |
H15B | −0.0194 | 0.8252 | −0.2975 | 0.066* | |
H15C | 0.0313 | 0.8792 | −0.3433 | 0.066* | |
C16 | 0.7141 (9) | 0.6673 (2) | 0.3514 (7) | 0.0415 (13) | |
C17 | 0.8833 (8) | 0.6460 (2) | 0.4815 (7) | 0.0423 (13) | |
H17 | 0.8824 | 0.6127 | 0.5172 | 0.051* | |
C18 | 1.0524 (8) | 0.6744 (2) | 0.5572 (7) | 0.0380 (12) | |
H18 | 1.1643 | 0.6603 | 0.6447 | 0.046* | |
C19 | 1.0549 (9) | 0.7244 (2) | 0.5020 (7) | 0.0402 (12) | |
H19 | 1.1689 | 0.7433 | 0.5513 | 0.048* | |
C20 | 0.8859 (8) | 0.7456 (2) | 0.3729 (7) | 0.0396 (12) | |
H20 | 0.8867 | 0.7788 | 0.3364 | 0.048* | |
C21 | 0.7154 (9) | 0.7169 (2) | 0.2984 (8) | 0.0424 (13) | |
H21 | 0.6024 | 0.7312 | 0.2130 | 0.051* | |
C22 | 0.5514 (9) | 0.6315 (2) | 0.2710 (7) | 0.0421 (13) | |
H22 | 0.5994 | 0.5968 | 0.2804 | 0.051* | |
C23 | 0.2238 (9) | 0.6249 (2) | 0.2336 (7) | 0.0404 (12) | |
H23 | 0.1270 | 0.6434 | 0.2611 | 0.049* | |
C24 | 0.2236 (8) | 0.6414 (2) | 0.0559 (6) | 0.0346 (11) | |
H24 | 0.1570 | 0.6159 | −0.0352 | 0.041* | |
C25 | 0.2039 (8) | 0.5683 (2) | 0.2466 (7) | 0.0389 (12) | |
C26 | −0.0143 (9) | 0.5029 (2) | 0.2321 (9) | 0.0473 (14) | |
H26A | 0.0906 | 0.4868 | 0.3319 | 0.057* | |
H26B | −0.0273 | 0.4866 | 0.1219 | 0.057* | |
C27 | −0.2038 (9) | 0.5002 (2) | 0.2544 (8) | 0.0411 (12) | |
H27A | −0.1940 | 0.5207 | 0.3541 | 0.062* | |
H27B | −0.2288 | 0.4659 | 0.2757 | 0.062* | |
H27C | −0.3085 | 0.5123 | 0.1475 | 0.062* | |
C28 | 0.1201 (9) | 0.6911 (2) | −0.0020 (7) | 0.0389 (12) | |
C29 | −0.1877 (8) | 0.7302 (2) | −0.1310 (7) | 0.0360 (11) | |
H29A | −0.1631 | 0.7481 | −0.2227 | 0.043* | |
H29B | −0.1617 | 0.7524 | −0.0296 | 0.043* | |
C30 | −0.3949 (8) | 0.7086 (2) | −0.2038 (8) | 0.0423 (13) | |
H30A | −0.4374 | 0.7007 | −0.3284 | 0.063* | |
H30B | −0.4813 | 0.7331 | −0.1896 | 0.063* | |
H30C | −0.3956 | 0.6786 | −0.1389 | 0.063* | |
O1 | 0.9301 (6) | 0.93990 (15) | 0.0945 (5) | 0.0440 (10) | |
O2 | 0.8604 (6) | 0.88909 (15) | 0.2893 (5) | 0.0434 (10) | |
O3 | 0.8785 (5) | 1.02980 (16) | 0.2151 (5) | 0.0431 (9) | |
O4 | 0.5637 (6) | 1.01352 (14) | 0.1536 (5) | 0.0425 (9) | |
O5 | 0.6363 (5) | 0.82564 (14) | 0.0246 (5) | 0.0387 (9) | |
O6 | 0.3962 (6) | 0.87824 (15) | −0.0556 (5) | 0.0407 (9) | |
O7 | 0.4201 (6) | 0.63674 (16) | 0.3578 (5) | 0.0485 (10) | |
O8 | 0.4236 (6) | 0.64430 (15) | 0.0836 (5) | 0.0399 (9) | |
O9 | 0.3241 (6) | 0.53567 (17) | 0.2538 (5) | 0.0487 (10) | |
O10 | 0.0227 (6) | 0.55682 (15) | 0.2270 (5) | 0.0409 (9) | |
O11 | 0.1993 (6) | 0.73071 (17) | 0.0087 (5) | 0.0483 (10) | |
O12 | −0.0752 (5) | 0.68353 (13) | −0.0778 (5) | 0.0367 (8) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.048 (4) | 0.055 (4) | 0.039 (3) | 0.011 (3) | 0.017 (3) | 0.012 (3) |
C2 | 0.045 (4) | 0.062 (4) | 0.067 (4) | 0.006 (3) | 0.021 (3) | 0.033 (4) |
C3 | 0.047 (3) | 0.058 (4) | 0.053 (4) | 0.004 (3) | 0.021 (3) | 0.022 (3) |
C4 | 0.056 (4) | 0.052 (4) | 0.045 (3) | 0.002 (3) | 0.026 (3) | 0.021 (3) |
C5 | 0.046 (3) | 0.048 (3) | 0.037 (3) | −0.001 (3) | 0.012 (3) | 0.002 (3) |
C6 | 0.042 (3) | 0.055 (4) | 0.050 (4) | 0.000 (3) | −0.003 (3) | 0.002 (3) |
C7 | 0.043 (3) | 0.040 (3) | 0.044 (3) | −0.001 (2) | 0.010 (3) | 0.013 (2) |
C8 | 0.038 (3) | 0.037 (3) | 0.036 (3) | −0.001 (2) | 0.011 (2) | 0.019 (2) |
C9 | 0.036 (3) | 0.040 (3) | 0.040 (3) | 0.002 (2) | 0.005 (2) | 0.021 (2) |
C10 | 0.037 (3) | 0.044 (3) | 0.043 (3) | −0.010 (2) | 0.008 (3) | 0.005 (2) |
C11 | 0.040 (3) | 0.045 (3) | 0.035 (3) | −0.013 (2) | 0.014 (2) | −0.003 (2) |
C12 | 0.045 (3) | 0.037 (3) | 0.048 (3) | 0.015 (2) | 0.013 (3) | −0.007 (3) |
C13 | 0.035 (3) | 0.036 (3) | 0.040 (3) | 0.012 (2) | 0.009 (2) | 0.010 (2) |
C14 | 0.050 (4) | 0.035 (3) | 0.044 (3) | 0.003 (2) | 0.010 (3) | 0.001 (2) |
C15 | 0.046 (3) | 0.041 (3) | 0.044 (3) | 0.006 (2) | 0.016 (3) | −0.016 (3) |
C16 | 0.045 (3) | 0.041 (3) | 0.034 (3) | 0.002 (2) | 0.012 (2) | 0.001 (2) |
C17 | 0.040 (3) | 0.042 (3) | 0.040 (3) | −0.004 (2) | 0.011 (2) | −0.003 (2) |
C18 | 0.043 (3) | 0.035 (3) | 0.043 (3) | 0.011 (2) | 0.025 (3) | −0.002 (2) |
C19 | 0.046 (3) | 0.035 (3) | 0.043 (3) | −0.001 (2) | 0.021 (3) | −0.004 (2) |
C20 | 0.040 (3) | 0.038 (3) | 0.041 (3) | −0.004 (2) | 0.017 (2) | 0.010 (2) |
C21 | 0.047 (3) | 0.032 (3) | 0.043 (3) | 0.000 (2) | 0.013 (3) | 0.005 (2) |
C22 | 0.051 (3) | 0.029 (3) | 0.039 (3) | 0.004 (2) | 0.012 (2) | −0.001 (2) |
C23 | 0.048 (3) | 0.041 (3) | 0.030 (2) | −0.012 (3) | 0.014 (2) | −0.001 (2) |
C24 | 0.040 (3) | 0.040 (3) | 0.027 (2) | −0.010 (2) | 0.017 (2) | −0.013 (2) |
C25 | 0.043 (3) | 0.041 (3) | 0.031 (3) | −0.011 (2) | 0.014 (2) | −0.004 (2) |
C26 | 0.045 (3) | 0.038 (3) | 0.049 (3) | −0.007 (2) | 0.010 (3) | −0.004 (3) |
C27 | 0.052 (3) | 0.028 (3) | 0.044 (3) | −0.009 (2) | 0.020 (3) | 0.001 (2) |
C28 | 0.049 (3) | 0.038 (3) | 0.031 (3) | −0.009 (3) | 0.019 (2) | −0.011 (2) |
C29 | 0.041 (3) | 0.030 (3) | 0.032 (2) | −0.002 (2) | 0.011 (2) | 0.001 (2) |
C30 | 0.033 (3) | 0.045 (3) | 0.038 (3) | −0.009 (2) | 0.004 (2) | −0.008 (2) |
O1 | 0.043 (2) | 0.043 (2) | 0.044 (2) | 0.0114 (18) | 0.0151 (19) | 0.0179 (17) |
O2 | 0.038 (2) | 0.047 (2) | 0.040 (2) | −0.0088 (17) | 0.0111 (17) | 0.0236 (17) |
O3 | 0.038 (2) | 0.047 (2) | 0.043 (2) | −0.0176 (18) | 0.0151 (17) | 0.0104 (18) |
O4 | 0.049 (2) | 0.038 (2) | 0.040 (2) | −0.0159 (17) | 0.0186 (18) | −0.0082 (17) |
O5 | 0.038 (2) | 0.036 (2) | 0.042 (2) | 0.0146 (17) | 0.0158 (17) | 0.0115 (17) |
O6 | 0.045 (2) | 0.040 (2) | 0.0380 (19) | 0.0024 (17) | 0.0180 (17) | 0.0023 (17) |
O7 | 0.054 (2) | 0.045 (2) | 0.043 (2) | −0.0064 (19) | 0.0166 (19) | 0.0075 (19) |
O8 | 0.046 (2) | 0.039 (2) | 0.0300 (17) | −0.0108 (17) | 0.0113 (16) | −0.0023 (16) |
O9 | 0.052 (2) | 0.053 (3) | 0.043 (2) | 0.007 (2) | 0.0207 (19) | −0.0037 (19) |
O10 | 0.044 (2) | 0.042 (2) | 0.0349 (18) | −0.0144 (17) | 0.0143 (17) | −0.0084 (17) |
O11 | 0.042 (2) | 0.057 (3) | 0.043 (2) | −0.015 (2) | 0.0153 (18) | 0.0066 (19) |
O12 | 0.042 (2) | 0.032 (2) | 0.0347 (18) | −0.0050 (16) | 0.0143 (16) | −0.0022 (15) |
C1—C2 | 1.383 (10) | C16—C21 | 1.386 (8) |
C1—C3 | 1.397 (10) | C16—C17 | 1.400 (8) |
C1—C7 | 1.471 (8) | C16—C22 | 1.473 (8) |
C2—C6 | 1.377 (9) | C17—C18 | 1.387 (8) |
C2—H2 | 0.9300 | C17—H17 | 0.9300 |
C3—C4 | 1.402 (9) | C18—C19 | 1.402 (8) |
C3—H3 | 0.9300 | C18—H18 | 0.9300 |
C4—C5 | 1.391 (10) | C19—C20 | 1.394 (8) |
C4—H4 | 0.9300 | C19—H19 | 0.9300 |
C5—C6 | 1.369 (9) | C20—C21 | 1.398 (8) |
C5—H5 | 0.9300 | C20—H20 | 0.9300 |
C6—H6 | 0.9300 | C21—H21 | 0.9300 |
C7—O2 | 1.450 (7) | C22—O7 | 1.446 (7) |
C7—O1 | 1.476 (7) | C22—O8 | 1.476 (7) |
C7—H7 | 0.9800 | C22—H22 | 0.9800 |
C8—O1 | 1.434 (7) | C23—O7 | 1.441 (7) |
C8—C10 | 1.522 (9) | C23—C25 | 1.517 (8) |
C8—C9 | 1.545 (7) | C23—C24 | 1.522 (7) |
C8—H8 | 0.9800 | C23—H23 | 0.9800 |
C9—O2 | 1.432 (6) | C24—O8 | 1.431 (6) |
C9—C13 | 1.528 (9) | C24—C28 | 1.502 (8) |
C9—H9 | 0.9800 | C24—H24 | 0.9800 |
C10—O3 | 1.216 (7) | C25—O9 | 1.236 (7) |
C10—O4 | 1.339 (7) | C25—O10 | 1.343 (7) |
C11—O4 | 1.439 (7) | C26—O10 | 1.460 (7) |
C11—C12 | 1.554 (8) | C26—C27 | 1.516 (9) |
C11—H11A | 0.9700 | C26—H26A | 0.9700 |
C11—H11B | 0.9700 | C26—H26B | 0.9700 |
C12—H12A | 0.9600 | C27—H27A | 0.9600 |
C12—H12B | 0.9600 | C27—H27B | 0.9600 |
C12—H12C | 0.9600 | C27—H27C | 0.9600 |
C13—O5 | 1.193 (6) | C28—O11 | 1.194 (7) |
C13—O6 | 1.356 (6) | C28—O12 | 1.354 (7) |
C14—O6 | 1.447 (7) | C29—O12 | 1.461 (6) |
C14—C15 | 1.537 (9) | C29—C30 | 1.534 (7) |
C14—H14A | 0.9700 | C29—H29A | 0.9700 |
C14—H14B | 0.9700 | C29—H29B | 0.9700 |
C15—H15A | 0.9600 | C30—H30A | 0.9600 |
C15—H15B | 0.9600 | C30—H30B | 0.9600 |
C15—H15C | 0.9600 | C30—H30C | 0.9600 |
C2—C1—C3 | 120.2 (6) | C18—C17—H17 | 120.0 |
C2—C1—C7 | 114.3 (6) | C16—C17—H17 | 120.0 |
C3—C1—C7 | 125.5 (6) | C17—C18—C19 | 120.1 (6) |
C6—C2—C1 | 120.0 (7) | C17—C18—H18 | 119.9 |
C6—C2—H2 | 120.0 | C19—C18—H18 | 119.9 |
C1—C2—H2 | 120.0 | C20—C19—C18 | 119.8 (5) |
C1—C3—C4 | 120.0 (7) | C20—C19—H19 | 120.1 |
C1—C3—H3 | 120.0 | C18—C19—H19 | 120.1 |
C4—C3—H3 | 120.0 | C19—C20—C21 | 119.9 (5) |
C5—C4—C3 | 118.0 (7) | C19—C20—H20 | 120.1 |
C5—C4—H4 | 121.0 | C21—C20—H20 | 120.1 |
C3—C4—H4 | 121.0 | C16—C21—C20 | 120.2 (6) |
C6—C5—C4 | 121.9 (6) | C16—C21—H21 | 119.9 |
C6—C5—H5 | 119.0 | C20—C21—H21 | 119.9 |
C4—C5—H5 | 119.0 | O7—C22—C16 | 109.3 (4) |
C5—C6—C2 | 120.0 (7) | O7—C22—O8 | 102.0 (4) |
C5—C6—H6 | 120.0 | C16—C22—O8 | 112.5 (4) |
C2—C6—H6 | 120.0 | O7—C22—H22 | 110.9 |
O2—C7—C1 | 111.3 (5) | C16—C22—H22 | 110.9 |
O2—C7—O1 | 104.4 (5) | O8—C22—H22 | 110.9 |
C1—C7—O1 | 121.4 (5) | O7—C23—C25 | 105.5 (5) |
O2—C7—H7 | 106.3 | O7—C23—C24 | 102.0 (4) |
C1—C7—H7 | 106.3 | C25—C23—C24 | 113.1 (5) |
O1—C7—H7 | 106.3 | O7—C23—H23 | 111.9 |
O1—C8—C10 | 107.5 (4) | C25—C23—H23 | 111.9 |
O1—C8—C9 | 107.1 (4) | C24—C23—H23 | 111.9 |
C10—C8—C9 | 106.6 (5) | O8—C24—C28 | 112.3 (4) |
O1—C8—H8 | 111.8 | O8—C24—C23 | 106.3 (4) |
C10—C8—H8 | 111.8 | C28—C24—C23 | 110.5 (4) |
C9—C8—H8 | 111.8 | O8—C24—H24 | 109.2 |
O2—C9—C13 | 100.7 (4) | C28—C24—H24 | 109.2 |
O2—C9—C8 | 102.6 (4) | C23—C24—H24 | 109.2 |
C13—C9—C8 | 107.1 (5) | O9—C25—O10 | 122.5 (5) |
O2—C9—H9 | 114.9 | O9—C25—C23 | 127.1 (5) |
C13—C9—H9 | 114.9 | O10—C25—C23 | 109.9 (5) |
C8—C9—H9 | 114.9 | O10—C26—C27 | 104.5 (5) |
O3—C10—O4 | 123.8 (6) | O10—C26—H26A | 110.9 |
O3—C10—C8 | 124.0 (6) | C27—C26—H26A | 110.9 |
O4—C10—C8 | 111.5 (5) | O10—C26—H26B | 110.9 |
O4—C11—C12 | 105.2 (4) | C27—C26—H26B | 110.9 |
O4—C11—H11A | 110.7 | H26A—C26—H26B | 108.9 |
C12—C11—H11A | 110.7 | C26—C27—H27A | 109.5 |
O4—C11—H11B | 110.7 | C26—C27—H27B | 109.5 |
C12—C11—H11B | 110.7 | H27A—C27—H27B | 109.5 |
H11A—C11—H11B | 108.8 | C26—C27—H27C | 109.5 |
C11—C12—H12A | 109.5 | H27A—C27—H27C | 109.5 |
C11—C12—H12B | 109.5 | H27B—C27—H27C | 109.5 |
H12A—C12—H12B | 109.5 | O11—C28—O12 | 125.4 (6) |
C11—C12—H12C | 109.5 | O11—C28—C24 | 124.7 (5) |
H12A—C12—H12C | 109.5 | O12—C28—C24 | 109.8 (4) |
H12B—C12—H12C | 109.5 | O12—C29—C30 | 99.9 (4) |
O5—C13—O6 | 115.7 (5) | O12—C29—H29A | 111.8 |
O5—C13—C9 | 135.9 (5) | C30—C29—H29A | 111.8 |
O6—C13—C9 | 108.2 (4) | O12—C29—H29B | 111.8 |
O6—C14—C15 | 110.6 (5) | C30—C29—H29B | 111.8 |
O6—C14—H14A | 109.5 | H29A—C29—H29B | 109.5 |
C15—C14—H14A | 109.5 | C29—C30—H30A | 109.5 |
O6—C14—H14B | 109.5 | C29—C30—H30B | 109.5 |
C15—C14—H14B | 109.5 | H30A—C30—H30B | 109.5 |
H14A—C14—H14B | 108.1 | C29—C30—H30C | 109.5 |
C14—C15—H15A | 109.5 | H30A—C30—H30C | 109.5 |
C14—C15—H15B | 109.5 | H30B—C30—H30C | 109.5 |
H15A—C15—H15B | 109.5 | C8—O1—C7 | 104.5 (4) |
C14—C15—H15C | 109.5 | C9—O2—C7 | 104.0 (4) |
H15A—C15—H15C | 109.5 | C10—O4—C11 | 118.2 (4) |
H15B—C15—H15C | 109.5 | C13—O6—C14 | 117.7 (4) |
C21—C16—C17 | 120.0 (6) | C23—O7—C22 | 110.0 (4) |
C21—C16—C22 | 125.7 (5) | C24—O8—C22 | 110.0 (4) |
C17—C16—C22 | 114.1 (5) | C25—O10—C26 | 114.5 (5) |
C18—C17—C16 | 120.0 (6) | C28—O12—C29 | 113.5 (4) |
D—H···A | D—H | H···A | D···A | D—H···A |
C22—H22···O9 | 0.98 | 2.57 | 3.035 (7) | 109 |
C14—H14A···O11 | 0.97 | 2.52 | 3.430 (7) | 156 |
C7—H7···O5 | 0.98 | 2.18 | 2.873 (7) | 126 |