Information card for entry 2203848

Structure parameters

• Chemical name: 3-Hydroxy-3-(3-hydroxyphenyl)-1-phenylpropan-1-one
• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: Oc1cccc(c1)C(CC(=O)c1ccccc1)O
• Title of publication: 3-Hydroxy-3-(3-hydroxyphenyl)-1-phenylpropan-1-one
• Authors of publication: Zhifang Yu; Jianwei Sun; Bing Zhao; Xiuyan Gu; Zhongzhen Tian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1135 - o1136
• a: 14.251 ± 0.005 Å
• b: 9.984 ± 0.003 Å
• c: 8.994 ± 0.003 Å
• α: 90°
• β: 105.305 ± 0.005°
• γ: 90°
• Cell volume: 1234.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0923
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes