Information card for entry 2238533

Structure parameters

• Chemical name: (2<i>E</i>)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate
• Formula: C31 H26 Cl2 N2 O2
• Calculated formula: C31 H26 Cl2 N2 O2
• Title of publication: (2<i>E</i>)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate
• Authors of publication: Prasath, R.; Sarveswari, S.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1414 - o1415
• a: 9.1621 ± 0.0003 Å
• b: 11.3598 ± 0.0004 Å
• c: 13.1879 ± 0.0005 Å
• α: 74.017 ± 0.003°
• β: 85.995 ± 0.003°
• γ: 77.683 ± 0.003°
• Cell volume: 1289.07 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes