Information card for entry 8101597

Structure parameters

• Formula: C20 H20 O4
• Calculated formula: C20 H20 O4
• SMILES: O=C(CC[C@H]1O[C@@H](CO1)CC(=O)c1ccccc1)c1ccccc1.O=C(CC[C@@H]1O[C@H](CO1)CC(=O)c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of trans-3-[4-(2-oxo-2-phenylethyl)-1,3-dioxolan- 2-yl]-1-phenyl-1-propanone, C~20~H~20~O~4~
• Authors of publication: Avery, T. D.; Jensen, W. P.; Taylor, D. K.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 519 - 520
• a: 5.557 ± 0.005 Å
• b: 10.149 ± 0.007 Å
• c: 28.597 ± 0.003 Å
• α: 90°
• β: 93.32 ± 0.03°
• γ: 90°
• Cell volume: 1610 ± 1 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.053
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No