Information card for entry 8101091

Structure parameters

• Formula: C29 H22 O4
• Calculated formula: C29 H22 O4
• SMILES: O=C(C#Cc1ccccc1)c1c(O)cc(OCc2ccccc2)cc1OCc1ccccc1
• Title of publication: Crystal structure of 1-[2,4-di(benzyloxy)-6-hydroxyphenyl]-3-phenyl- 2-propyn-1-one, C~29~H~22~O~4~
• 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: 565 - 566
• a: 10.795 ± 0.003 Å
• b: 12.877 ± 0.005 Å
• c: 7.877 ± 0.002 Å
• α: 97.2 ± 0.03°
• β: 96.21 ± 0.02°
• γ: 84 ± 0.02°
• Cell volume: 1075.4 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No