Information card for entry 2215097

Structure parameters

• Chemical name: 1-(2-Hydroxy-5-methylphenyl)-2-phenylethanone
• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• SMILES: Oc1ccc(cc1C(=O)Cc1ccccc1)C
• Title of publication: 1-(2-Hydroxy-5-methylphenyl)-2-phenylethanone
• Authors of publication: Jian-Guo Chang; Chun-Hong He; Jian-Ping Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3810 - o3810
• a: 8.2951 ± 0.001 Å
• b: 18.01 ± 0.002 Å
• c: 8.9186 ± 0.001 Å
• α: 90°
• β: 114.103 ± 0.004°
• γ: 90°
• Cell volume: 1216.2 ± 0.2 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: 0.1009
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.2416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes