Information card for entry 2238367

Structure parameters

• Chemical name: (2<i>E</i>)-3-(6-Chloro-2-methoxyquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one acetone monosolvate
• Formula: C32 H27 Cl N2 O3
• Calculated formula: C32 H27 Cl N2 O3
• SMILES: CC(=O)C.COc1nc2ccc(cc2cc1/C=C/C(=O)c1c(C)nc2c(c1c1ccccc1)cccc2)Cl
• Title of publication: (2<i>E</i>)-3-(6-Chloro-2-methoxyquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one acetone 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: 8
• Pages of publication: o1319
• a: 17.1714 ± 0.0003 Å
• b: 10.7099 ± 0.0002 Å
• c: 14.5248 ± 0.0002 Å
• α: 90°
• β: 100.021 ± 0.002°
• γ: 90°
• Cell volume: 2630.42 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes