Information card for entry 2205110

Structure parameters

• Chemical name: 3-(4-Chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
• Formula: C15 H13 Cl O2
• Calculated formula: C15 H13 Cl O2
• SMILES: Clc1ccc(cc1)C(O)CC(=O)c1ccccc1
• Title of publication: 3-(4-Chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
• Authors of publication: Yu, Zhifang; Gu, Xiuyan; Zhao, Bing; Tian, Zhongzhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o225 - o226
• a: 5.36 ± 0.009 Å
• b: 8.697 ± 0.014 Å
• c: 27.46 ± 0.05 Å
• α: 90°
• β: 90.17 ± 0.03°
• γ: 90°
• Cell volume: 1280 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No