The title structure, C20H18O8·1.5C6H6, is a tetrasubstituted biphenyl which has a pseudo-inversion centre between the two halves. The benzene solvent molecules lie in special positions, one with twofold rotation symmetry and two with inversion symmetry. The tetramethyl ester molecule is twisted and forms a supramolecular assembly of stacked sheets.
Supporting information
CCDC reference: 193760
Key indicators
- Single-crystal X-ray study
- T = 150 K
- Mean (C-C) = 0.005 Å
- R factor = 0.053
- wR factor = 0.148
- Data-to-parameter ratio = 8.2
checkCIF results
No syntax errors found
ADDSYM reports no extra symmetry
Alert Level B:
CELLV_02 Alert B The supplied cell volume s.u. differs from that
calculated from the cell parameter s.u.'s by > 4
Calculated cell volume su = 23.98
Cell volume su given = 16.00
RINTA_01 Alert B The value of Rint is greater than 0.15
Rint given 0.167
THETM_01 Alert B The value of sine(theta_max)/wavelength is less than 0.575
Calculated sin(theta_max)/wavelength = 0.5635
Alert Level C:
REFNR_01 Alert C Ratio of reflections to parameters is < 10 for a
centrosymmetric structure
sine(theta)/lambda 0.5635
Proportion of unique data used 1.0000
Ratio reflections to parameters 8.2398
0 Alert Level A = Potentially serious problem
3 Alert Level B = Potential problem
1 Alert Level C = Please check
Data collection: DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998); cell refinement: DENZO and COLLECT; data reduction: DENZO and COLLECT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 1990).
Crystal data top
C20H18O8·1.5C6H6 | F(000) = 2120 |
Mr = 503.51 | Dx = 1.362 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
a = 37.557 (7) Å | Cell parameters from 16139 reflections |
b = 7.0816 (14) Å | θ = 5.1–23.2° |
c = 22.498 (4) Å | µ = 0.10 mm−1 |
β = 124.86 (3)° | T = 150 K |
V = 4909.9 (16) Å3 | Needle, colourless |
Z = 8 | 0.48 × 0.07 × 0.01 mm |
Data collection top
Nonius KappaCCD area-detector diffractometer | 2251 reflections with I > 2σ(I) |
φ and ω scans | Rint = 0.167 |
Absorption correction: multi-scan (SORTAV; Blessing, 1997) | θmax = 23.6°, θmin = 3.0° |
Tmin = 0.954, Tmax = 0.999 | h = −42→42 |
18113 measured reflections | k = −7→7 |
3642 independent reflections | l = −25→25 |
Refinement top
Refinement on F2 | H atoms treated by a mixture of independent and constrained refinement |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0627P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.053 | (Δ/σ)max = 0.001 |
wR(F2) = 0.148 | Δρmax = 0.24 e Å−3 |
S = 1.01 | Δρmin = −0.26 e Å−3 |
3642 reflections | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
442 parameters | Extinction coefficient: 0.0019 (3) |
0 restraints | |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
C1 | 0.33850 (13) | 0.8414 (5) | 0.1315 (2) | 0.0424 (9) | |
C2 | 0.34335 (10) | 0.9533 (4) | 0.23485 (15) | 0.0314 (7) | |
C3 | 0.31925 (9) | 0.9927 (4) | 0.26761 (14) | 0.0268 (7) | |
C4 | 0.34302 (10) | 1.0389 (4) | 0.34103 (15) | 0.0277 (7) | |
C5 | 0.32153 (9) | 1.0802 (4) | 0.37270 (14) | 0.0267 (7) | |
C6 | 0.34488 (10) | 1.1377 (4) | 0.45050 (14) | 0.0292 (7) | |
C7 | 0.41302 (13) | 1.1704 (6) | 0.56249 (16) | 0.0443 (9) | |
C8 | 0.27641 (10) | 1.0754 (4) | 0.33196 (15) | 0.0280 (7) | |
C9 | 0.25190 (9) | 1.0276 (4) | 0.25802 (14) | 0.0265 (7) | |
C10 | 0.27431 (9) | 0.9894 (4) | 0.22715 (15) | 0.0284 (7) | |
C11 | 0.20367 (9) | 1.0244 (4) | 0.21519 (14) | 0.0271 (7) | |
C12 | 0.18215 (9) | 0.9779 (4) | 0.24687 (15) | 0.0285 (7) | |
C13 | 0.13682 (9) | 0.9779 (4) | 0.20660 (14) | 0.0285 (7) | |
C14 | 0.11293 (10) | 0.9323 (4) | 0.23935 (15) | 0.0329 (7) | |
C15 | 0.11867 (13) | 0.8514 (6) | 0.34632 (19) | 0.0466 (9) | |
C16 | 0.11261 (11) | 1.0236 (4) | 0.13341 (15) | 0.0301 (7) | |
C17 | 0.13372 (9) | 1.0696 (4) | 0.10097 (14) | 0.0284 (7) | |
C18 | 0.10931 (10) | 1.1270 (4) | 0.02343 (15) | 0.0316 (7) | |
C19 | 0.03967 (12) | 1.1579 (6) | −0.08656 (17) | 0.0462 (9) | |
C20 | 0.17860 (10) | 1.0708 (4) | 0.14144 (15) | 0.0286 (7) | |
C41 | 0.02442 (13) | 0.4903 (8) | 0.2332 (2) | 0.0680 (14) | |
C42 | 0.02429 (17) | 0.2999 (9) | 0.2335 (2) | 0.0851 (18) | |
C43 | 0 | 0.2056 (9) | 0.25 | 0.101 (3) | |
H43 | 0 | 0.0714 | 0.25 | 0.122* | |
C46 | 0 | 0.5856 (8) | 0.25 | 0.0647 (19) | |
C47 | 0.02532 (13) | 0.4071 (6) | 0.06563 (19) | 0.0542 (10) | |
C48 | −0.00793 (13) | 0.3137 (5) | 0.0049 (2) | 0.0559 (10) | |
C49 | 0.03294 (12) | 0.5926 (6) | 0.0603 (2) | 0.0561 (10) | |
C53 | 0.22795 (12) | 0.2878 (5) | 0.03085 (17) | 0.0451 (9) | |
C54 | 0.22907 (11) | 0.1050 (5) | 0.00972 (17) | 0.0434 (9) | |
C55 | 0.24901 (11) | 0.4311 (5) | 0.02140 (17) | 0.0435 (8) | |
O1 | 0.31812 (7) | 0.8772 (3) | 0.16853 (10) | 0.0374 (6) | |
O2 | 0.38157 (7) | 0.9838 (3) | 0.26444 (11) | 0.0467 (6) | |
O3 | 0.32699 (7) | 1.1884 (3) | 0.47805 (10) | 0.0414 (6) | |
O4 | 0.38786 (7) | 1.1263 (3) | 0.48526 (10) | 0.0375 (6) | |
O5 | 0.07384 (7) | 0.9327 (3) | 0.20671 (11) | 0.0408 (6) | |
O6 | 0.13971 (7) | 0.8915 (3) | 0.31015 (10) | 0.0392 (6) | |
O7 | 0.12573 (7) | 1.1907 (3) | −0.00503 (11) | 0.0456 (6) | |
O8 | 0.06665 (7) | 1.0959 (3) | −0.01136 (10) | 0.0388 (6) | |
H1A | 0.3409 (12) | 0.958 (5) | 0.110 (2) | 0.072 (12)* | |
H1B | 0.3187 (12) | 0.754 (5) | 0.092 (2) | 0.070 (11)* | |
H1C | 0.3676 (14) | 0.785 (5) | 0.163 (2) | 0.078 (13)* | |
H4 | 0.3741 (9) | 1.035 (3) | 0.3687 (14) | 0.025 (7)* | |
H7A | 0.4026 (13) | 1.305 (6) | 0.570 (2) | 0.090 (13)* | |
H7B | 0.4453 (14) | 1.175 (5) | 0.578 (2) | 0.075 (12)* | |
H7C | 0.4067 (11) | 1.072 (5) | 0.5851 (18) | 0.060 (11)* | |
H8 | 0.2611 (9) | 1.100 (4) | 0.3563 (15) | 0.034 (8)* | |
H10 | 0.2582 (10) | 0.964 (4) | 0.1761 (16) | 0.042 (8)* | |
H12 | 0.1979 (8) | 0.947 (3) | 0.2965 (14) | 0.021 (7)* | |
H15A | 0.0976 (13) | 0.960 (5) | 0.338 (2) | 0.076 (13)* | |
H15B | 0.1444 (12) | 0.827 (5) | 0.401 (2) | 0.067 (11)* | |
H15C | 0.0996 (12) | 0.733 (5) | 0.3227 (18) | 0.066 (11)* | |
H16 | 0.0832 (10) | 1.028 (4) | 0.1094 (15) | 0.031 (8)* | |
H19A | 0.0389 (14) | 1.308 (7) | −0.085 (2) | 0.102 (15)* | |
H19B | 0.0093 (13) | 1.114 (5) | −0.1077 (19) | 0.064 (11)* | |
H19C | 0.0507 (11) | 1.107 (5) | −0.1126 (18) | 0.056 (10)* | |
H20 | 0.1941 (9) | 1.102 (3) | 0.1193 (14) | 0.025 (7)* | |
H41 | 0.0410 (16) | 0.552 (6) | 0.220 (2) | 0.109 (17)* | |
H42 | 0.0403 (17) | 0.233 (7) | 0.216 (3) | 0.127 (18)* | |
H46 | 0 | 0.715 (8) | 0.25 | 0.066 (16)* | |
H47 | 0.0443 (13) | 0.337 (5) | 0.115 (2) | 0.074 (11)* | |
H48 | −0.0135 (13) | 0.185 (6) | 0.012 (2) | 0.081 (13)* | |
H49 | 0.0565 (15) | 0.659 (6) | 0.106 (2) | 0.102 (15)* | |
H53 | 0.2108 (10) | 0.315 (4) | 0.0520 (16) | 0.048 (9)* | |
H54 | 0.2150 (11) | 0.010 (5) | 0.0172 (19) | 0.062 (11)* | |
H55 | 0.2478 (11) | 0.561 (5) | 0.0362 (18) | 0.059 (10)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
C1 | 0.046 (3) | 0.055 (2) | 0.034 (2) | −0.0003 (19) | 0.027 (2) | −0.0040 (17) |
C2 | 0.029 (2) | 0.0355 (17) | 0.0253 (16) | 0.0013 (14) | 0.0134 (15) | 0.0049 (13) |
C3 | 0.0276 (18) | 0.0272 (15) | 0.0247 (16) | −0.0021 (13) | 0.0143 (14) | −0.0001 (11) |
C4 | 0.0216 (18) | 0.0313 (16) | 0.0239 (16) | 0.0012 (13) | 0.0092 (14) | 0.0037 (12) |
C5 | 0.0291 (18) | 0.0243 (14) | 0.0247 (15) | −0.0017 (12) | 0.0141 (14) | 0.0012 (11) |
C6 | 0.0270 (19) | 0.0334 (16) | 0.0240 (16) | −0.0040 (13) | 0.0127 (15) | 0.0023 (12) |
C7 | 0.038 (2) | 0.063 (2) | 0.0202 (17) | −0.0088 (18) | 0.0096 (17) | −0.0044 (15) |
C8 | 0.0296 (19) | 0.0290 (15) | 0.0267 (16) | 0.0003 (13) | 0.0168 (15) | 0.0016 (12) |
C9 | 0.0257 (17) | 0.0276 (16) | 0.0223 (15) | −0.0012 (12) | 0.0113 (14) | −0.0001 (11) |
C10 | 0.0298 (19) | 0.0263 (15) | 0.0228 (17) | −0.0025 (13) | 0.0113 (15) | −0.0002 (12) |
C11 | 0.0261 (18) | 0.0285 (16) | 0.0242 (16) | −0.0009 (12) | 0.0130 (14) | −0.0034 (11) |
C12 | 0.0287 (19) | 0.0287 (16) | 0.0221 (16) | −0.0008 (13) | 0.0109 (15) | −0.0050 (12) |
C13 | 0.0265 (18) | 0.0317 (16) | 0.0241 (16) | 0.0012 (13) | 0.0125 (14) | −0.0029 (12) |
C14 | 0.031 (2) | 0.0361 (17) | 0.0277 (17) | −0.0011 (14) | 0.0144 (16) | −0.0029 (13) |
C15 | 0.045 (2) | 0.067 (3) | 0.034 (2) | −0.007 (2) | 0.0263 (19) | 0.0011 (18) |
C16 | 0.0264 (19) | 0.0343 (17) | 0.0264 (17) | 0.0001 (14) | 0.0131 (15) | −0.0038 (12) |
C17 | 0.0273 (18) | 0.0298 (16) | 0.0243 (15) | 0.0002 (13) | 0.0126 (14) | −0.0006 (12) |
C18 | 0.028 (2) | 0.0350 (17) | 0.0284 (17) | 0.0039 (13) | 0.0144 (16) | 0.0010 (13) |
C19 | 0.031 (2) | 0.076 (3) | 0.0215 (18) | 0.0076 (19) | 0.0087 (17) | 0.0073 (16) |
C20 | 0.0290 (19) | 0.0306 (16) | 0.0269 (16) | −0.0013 (13) | 0.0163 (15) | −0.0019 (12) |
C41 | 0.040 (3) | 0.129 (5) | 0.029 (2) | −0.024 (3) | 0.0165 (19) | −0.008 (2) |
C42 | 0.077 (4) | 0.121 (5) | 0.029 (2) | 0.060 (4) | 0.013 (2) | 0.000 (3) |
C43 | 0.159 (9) | 0.047 (4) | 0.024 (3) | 0 | 0.009 (4) | 0 |
C46 | 0.089 (5) | 0.043 (3) | 0.027 (3) | 0 | 0.012 (3) | 0 |
C47 | 0.050 (3) | 0.068 (3) | 0.041 (2) | 0.014 (2) | 0.023 (2) | 0.0006 (19) |
C48 | 0.057 (3) | 0.051 (2) | 0.067 (3) | −0.005 (2) | 0.040 (2) | −0.005 (2) |
C49 | 0.036 (2) | 0.073 (3) | 0.048 (2) | −0.002 (2) | 0.017 (2) | −0.020 (2) |
C53 | 0.047 (2) | 0.052 (2) | 0.041 (2) | 0.0005 (17) | 0.0278 (19) | −0.0033 (15) |
C54 | 0.040 (2) | 0.047 (2) | 0.0405 (19) | −0.0049 (17) | 0.0212 (18) | −0.0005 (15) |
C55 | 0.042 (2) | 0.043 (2) | 0.042 (2) | −0.0024 (16) | 0.0220 (18) | −0.0059 (16) |
O1 | 0.0370 (14) | 0.0502 (13) | 0.0262 (11) | −0.0028 (10) | 0.0187 (11) | −0.0059 (9) |
O2 | 0.0314 (15) | 0.0762 (16) | 0.0306 (13) | −0.0052 (12) | 0.0165 (12) | −0.0072 (11) |
O3 | 0.0357 (14) | 0.0602 (15) | 0.0290 (12) | −0.0026 (11) | 0.0190 (12) | −0.0071 (10) |
O4 | 0.0289 (14) | 0.0532 (13) | 0.0220 (11) | −0.0011 (10) | 0.0096 (10) | −0.0021 (9) |
O5 | 0.0312 (15) | 0.0561 (14) | 0.0349 (12) | −0.0014 (10) | 0.0187 (12) | −0.0008 (10) |
O6 | 0.0330 (14) | 0.0603 (14) | 0.0255 (11) | −0.0073 (10) | 0.0174 (11) | −0.0015 (9) |
O7 | 0.0363 (15) | 0.0685 (15) | 0.0307 (12) | 0.0021 (11) | 0.0185 (12) | 0.0089 (10) |
O8 | 0.0280 (13) | 0.0570 (14) | 0.0219 (11) | 0.0028 (10) | 0.0086 (10) | 0.0036 (9) |
Geometric parameters (Å, º) top
C1—O1 | 1.440 (4) | C15—H15C | 1.03 (4) |
C1—H1A | 0.98 (4) | C16—C17 | 1.389 (4) |
C1—H1B | 0.99 (4) | C16—H16 | 0.91 (3) |
C1—H1C | 0.99 (4) | C17—C20 | 1.384 (4) |
C2—O2 | 1.207 (3) | C17—C18 | 1.490 (4) |
C2—O1 | 1.341 (3) | C18—O7 | 1.202 (3) |
C2—C3 | 1.484 (4) | C18—O8 | 1.340 (4) |
C3—C10 | 1.386 (4) | C19—O8 | 1.457 (4) |
C3—C4 | 1.395 (4) | C19—H19A | 1.07 (4) |
C4—C5 | 1.379 (4) | C19—H19B | 1.00 (4) |
C4—H4 | 0.96 (3) | C19—H19C | 0.96 (4) |
C5—C8 | 1.392 (4) | C20—H20 | 0.98 (3) |
C5—C6 | 1.498 (4) | C41—C42 | 1.348 (7) |
C6—O3 | 1.200 (3) | C41—C46 | 1.356 (5) |
C6—O4 | 1.334 (3) | C41—H41 | 0.94 (5) |
C7—O4 | 1.460 (4) | C42—C43 | 1.342 (7) |
C7—H7A | 1.07 (4) | C42—H42 | 1.01 (5) |
C7—H7B | 1.06 (4) | C43—C42i | 1.342 (7) |
C7—H7C | 0.97 (4) | C43—H43 | 0.9500 |
C8—C9 | 1.407 (4) | C46—C41i | 1.356 (5) |
C8—H8 | 1.01 (3) | C46—H46 | 0.91 (5) |
C9—C10 | 1.390 (4) | C47—C49 | 1.364 (5) |
C9—C11 | 1.488 (4) | C47—C48 | 1.383 (5) |
C10—H10 | 0.96 (3) | C47—H47 | 1.04 (4) |
C11—C12 | 1.389 (4) | C48—C49ii | 1.378 (5) |
C11—C20 | 1.401 (4) | C48—H48 | 0.97 (4) |
C12—C13 | 1.399 (4) | C49—C48ii | 1.378 (5) |
C12—H12 | 0.94 (2) | C49—H49 | 1.01 (4) |
C13—C16 | 1.390 (4) | C53—C55 | 1.376 (5) |
C13—C14 | 1.486 (4) | C53—C54 | 1.388 (5) |
C14—O5 | 1.209 (3) | C53—H53 | 1.01 (3) |
C14—O6 | 1.342 (3) | C54—C55iii | 1.375 (5) |
C15—O6 | 1.450 (4) | C54—H54 | 0.93 (4) |
C15—H15A | 1.04 (4) | C55—C54iii | 1.375 (5) |
C15—H15B | 1.05 (4) | C55—H55 | 0.99 (3) |
| | | |
O1—C1—H1A | 111 (2) | H15B—C15—H15C | 112 (3) |
O1—C1—H1B | 105 (2) | C17—C16—C13 | 119.6 (3) |
H1A—C1—H1B | 109 (3) | C17—C16—H16 | 122.9 (18) |
O1—C1—H1C | 113 (2) | C13—C16—H16 | 117.4 (18) |
H1A—C1—H1C | 109 (3) | C20—C17—C16 | 120.2 (3) |
H1B—C1—H1C | 110 (3) | C20—C17—C18 | 118.1 (3) |
O2—C2—O1 | 123.1 (3) | C16—C17—C18 | 121.7 (3) |
O2—C2—C3 | 124.2 (3) | O7—C18—O8 | 123.8 (3) |
O1—C2—C3 | 112.6 (3) | O7—C18—C17 | 124.5 (3) |
C10—C3—C4 | 119.7 (3) | O8—C18—C17 | 111.7 (3) |
C10—C3—C2 | 122.0 (2) | O8—C19—H19A | 106 (2) |
C4—C3—C2 | 118.2 (3) | O8—C19—H19B | 108 (2) |
C5—C4—C3 | 119.6 (3) | H19A—C19—H19B | 106 (3) |
C5—C4—H4 | 121.8 (16) | O8—C19—H19C | 110 (2) |
C3—C4—H4 | 118.6 (16) | H19A—C19—H19C | 115 (3) |
C4—C5—C8 | 120.4 (3) | H19B—C19—H19C | 111 (3) |
C4—C5—C6 | 122.4 (3) | C17—C20—C11 | 121.3 (3) |
C8—C5—C6 | 117.1 (3) | C17—C20—H20 | 121.3 (15) |
O3—C6—O4 | 124.2 (3) | C11—C20—H20 | 117.4 (16) |
O3—C6—C5 | 123.9 (3) | C42—C41—C46 | 119.4 (5) |
O4—C6—C5 | 111.9 (3) | C42—C41—H41 | 118 (3) |
O4—C7—H7A | 109 (2) | C46—C41—H41 | 122 (3) |
O4—C7—H7B | 103 (2) | C43—C42—C41 | 120.3 (5) |
H7A—C7—H7B | 112 (3) | C43—C42—H42 | 122 (3) |
O4—C7—H7C | 107 (2) | C41—C42—H42 | 117 (3) |
H7A—C7—H7C | 110 (3) | C42i—C43—C42 | 120.4 (6) |
H7B—C7—H7C | 116 (3) | C42i—C43—H43 | 119.8 |
C5—C8—C9 | 120.8 (3) | C42—C43—H43 | 119.8 |
C5—C8—H8 | 119.7 (16) | C41i—C46—C41 | 120.3 (6) |
C9—C8—H8 | 119.4 (16) | C41i—C46—H46 | 119.9 (3) |
C10—C9—C8 | 117.6 (3) | C41—C46—H46 | 119.9 (3) |
C10—C9—C11 | 122.3 (2) | C49—C47—C48 | 119.3 (3) |
C8—C9—C11 | 120.1 (3) | C49—C47—H47 | 120 (2) |
C3—C10—C9 | 121.8 (3) | C48—C47—H47 | 121 (2) |
C3—C10—H10 | 119.1 (18) | C49ii—C48—C47 | 120.2 (4) |
C9—C10—H10 | 119.1 (18) | C49ii—C48—H48 | 123 (2) |
C12—C11—C20 | 118.0 (3) | C47—C48—H48 | 116 (2) |
C12—C11—C9 | 121.4 (2) | C47—C49—C48ii | 120.5 (4) |
C20—C11—C9 | 120.6 (3) | C47—C49—H49 | 118 (2) |
C11—C12—C13 | 121.2 (3) | C48ii—C49—H49 | 122 (2) |
C11—C12—H12 | 120.5 (16) | C55—C53—C54 | 120.2 (3) |
C13—C12—H12 | 118.3 (16) | C55—C53—H53 | 120.6 (17) |
C16—C13—C12 | 119.8 (3) | C54—C53—H53 | 119.2 (18) |
C16—C13—C14 | 117.8 (3) | C55iii—C54—C53 | 119.5 (3) |
C12—C13—C14 | 122.4 (3) | C55iii—C54—H54 | 122 (2) |
O5—C14—O6 | 123.2 (3) | C53—C54—H54 | 119 (2) |
O5—C14—C13 | 124.5 (3) | C54iii—C55—C53 | 120.4 (3) |
O6—C14—C13 | 112.3 (3) | C54iii—C55—H55 | 120 (2) |
O6—C15—H15A | 111 (2) | C53—C55—H55 | 119 (2) |
O6—C15—H15B | 104 (2) | C2—O1—C1 | 116.3 (3) |
H15A—C15—H15B | 115 (3) | C6—O4—C7 | 115.3 (3) |
O6—C15—H15C | 108.1 (19) | C14—O6—C15 | 115.4 (3) |
H15A—C15—H15C | 106 (3) | C18—O8—C19 | 115.8 (3) |
Symmetry codes: (i) −x, y, −z+1/2; (ii) −x, −y+1, −z; (iii) −x+1/2, −y+1/2, −z. |