Information card for entry 2208643

Structure parameters

• Chemical name: 3-(2,6-dichlorophenyl)-3-hydroxy-1-phenylpropan-1-one
• Formula: C15 H12 Cl2 O2
• Calculated formula: C15 H12 Cl2 O2
• SMILES: Clc1c(c(Cl)ccc1)C(CC(=O)c1ccccc1)O
• Title of publication: 3-(2,6-Dichlorophenyl)-3-hydroxy-1-phenylpropan-1-one
• Authors of publication: Xin-Xiang Luo; Zi-Xing Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1197 - o1198
• a: 16.2952 ± 0.0014 Å
• b: 11.5678 ± 0.001 Å
• c: 14.6687 ± 0.0012 Å
• α: 90°
• β: 102.23 ± 0.001°
• γ: 90°
• Cell volume: 2702.3 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0697
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No