Information card for entry 2224688

Structure parameters

• Chemical name: 1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
• Formula: C26 H20 Cl N O2
• Calculated formula: C26 H20 Cl N O2
• SMILES: Clc1ccc2nc(c(c(c2c1)c1ccccc1)C(=O)/C=C/c1cc(OC)ccc1)C
• Title of publication: 1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Loh, Wan-Sin; Fun, Hoong-Kun; Sarveswari, S.; Vijayakumar, V.; Reddy, B. Palakshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o91 - o92
• a: 15.6338 ± 0.0002 Å
• b: 14.0408 ± 0.0002 Å
• c: 10.0321 ± 0.0001 Å
• α: 90°
• β: 108.462 ± 0.001°
• γ: 90°
• Cell volume: 2088.82 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0536
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes