Information card for entry 2213686

Structure parameters

• Chemical name: 1,5-Bis(4-chlorophenyl)-3-phenylpentane-1,5-dione
• Formula: C23 H18 Cl2 O2
• Calculated formula: C23 H18 Cl2 O2
• SMILES: Clc1ccc(cc1)C(=O)CC(c1ccccc1)CC(=O)c1ccc(Cl)cc1
• Title of publication: 1,5-Bis(4-chlorophenyl)-3-phenylpentane-1,5-dione
• Authors of publication: Xue-Xia Mo; Zheng-Feng Xie; Fang-Ming Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2804 - o2804
• a: 15.5591 ± 0.0004 Å
• b: 10.761 ± 0.0003 Å
• c: 11.6784 ± 0.0003 Å
• α: 90°
• β: 101.616 ± 0.001°
• γ: 90°
• Cell volume: 1915.28 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes