Information card for entry 2212927

Structure parameters

• Common name: phenyl(3-phenyloxiran-2-yl)methanone
• Chemical name: phenyl 3-phenyloxiran-2-yl ketone
• Formula: C15 H12 O2
• Calculated formula: C15 H12 O2
• SMILES: c1(ccccc1)[C@H]1[C@H](C(=O)c2ccccc2)O1.c1(ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2)O1
• Title of publication: Phenyl 3-phenyloxiran-2-yl ketone
• Authors of publication: Javeed H. Zaidi; Tahir Mehmood; Muhammad Zareef; Ghulam Qadeer; Wai-Yeung Wong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1721 - o1722
• a: 10.4254 ± 0.0009 Å
• b: 7.9957 ± 0.0007 Å
• c: 27.826 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2319.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes