Information card for entry 8101093

Structure parameters

• Formula: C30 H23 Cl O6
• Calculated formula: C30 H23 Cl O6
• SMILES: Cl/C(=C\C(=O)c1c(O)cc(OCc2ccccc2)cc1OCc1ccccc1)c1cc2OCOc2cc1
• Title of publication: Crystal structure of (Z)-3-(1,3-benzodioxol-5-yl)-3-chloro-1-[2,4- di(benzyloxy)-6-hydroxyphenyl]-2-propen-1-one, C~30~H~23~ClO~6~
• Authors of publication: Kerr, P. J.; Pyke, S. M.; Ward, A. D.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 558 - 560
• a: 17.17 ± 0.01 Å
• b: 19.346 ± 0.004 Å
• c: 14.525 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4824 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No