Information card for entry 2214622

Structure parameters

• Chemical name: (2-hydroxy-5-methylphenyl)(phenyl)methanone
• Formula: C14 H12 O2
• Calculated formula: C14 H12 O2
• SMILES: Oc1ccc(cc1C(=O)c1ccccc1)C
• Title of publication: (2-Hydroxy-5-methylphenyl)(phenyl)methanone
• Authors of publication: Jian-Guo Chang; Lin-Lin Qiu; Dong-Feng Zhao; Guo-Fang He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3517 - o3517
• a: 15.9176 ± 0.0007 Å
• b: 5.8509 ± 0.0002 Å
• c: 12.1429 ± 0.0005 Å
• α: 90°
• β: 105.745 ± 0.002°
• γ: 90°
• Cell volume: 1088.46 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes