Information card for entry 8106766

Structure parameters

• Formula: C17 H12 Cl2 O
• Calculated formula: C17 H12 Cl2 O
• Title of publication: Crystal structure of (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one, C17H12Cl2O
• Authors of publication: Maluleka, Marole M.; Mphahlele, Malose J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 1049 - 1050
• a: 17.2845 ± 0.0014 Å
• b: 14.2007 ± 0.0011 Å
• c: 5.8795 ± 0.0005 Å
• α: 90°
• β: 99.088 ± 0.003°
• γ: 90°
• Cell volume: 1425 ± 0.2 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No