Information card for entry 8100480

Structure parameters

• Formula: C10 H10 O3
• Calculated formula: C10 H10 O3
• SMILES: O=C(c1ccccc1)[C@H]1O[C@@H]1CO.O=C(c1ccccc1)[C@@H]1O[C@H]1CO
• Title of publication: Crystal structure of (±)-[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl](phenyl)- methanone, C~10~H~10~O~3~
• Authors of publication: Greatrex, B. W.; Taylor, D. K.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 561 - 562
• a: 20.165 ± 0.004 Å
• b: 5.6673 ± 0.0013 Å
• c: 7.5829 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 866.6 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No