Information card for entry 2206799

Structure parameters

• Chemical name: 1,3-Bis(4-chlorophenyl)prop-2-en-1-one
• Formula: C15 H10 Cl2 O
• Calculated formula: C15 H10 Cl2 O
• SMILES: Clc1ccc(cc1)C(=O)/C=C/c1ccc(Cl)cc1
• Title of publication: 1,3-Bis(4-chlorophenyl)prop-2-en-1-one
• Authors of publication: Lei Wang; Wen Yang; De-Chun Zhang
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2820 - 2822
• a: 15.325 ± 0.003 Å
• b: 14.009 ± 0.002 Å
• c: 5.8501 ± 0.001 Å
• α: 90°
• β: 92.908 ± 0.004°
• γ: 90°
• Cell volume: 1254.3 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No