Information card for entry 2226546

Structure parameters

• Chemical name: 1-{6-Chloro-2-[(2-chloro-6-methylquinolin-3-yl)methoxy]-4-phenylquinolin- 3-yl}ethanone
• Formula: C28 H20 Cl2 N2 O2
• Calculated formula: C28 H20 Cl2 N2 O2
• SMILES: Clc1nc2c(cc1COc1nc3c(cc(Cl)cc3)c(c1C(=O)C)c1ccccc1)cc(cc2)C
• Title of publication: 1-{6-Chloro-2-[(2-chloro-6-methylquinolin-3-yl)methoxy]-4-phenylquinolin-3-yl}ethanone
• Authors of publication: Khan, F. Nawaz; Hathwar, Venkatesha R.; Kumar, Rajesh; Kushwaha, Atul Kumar; Akkurt, Mehmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1693 - o1694
• a: 8.0552 ± 0.0002 Å
• b: 12.4499 ± 0.0005 Å
• c: 13.3718 ± 0.0005 Å
• α: 67.555 ± 0.004°
• β: 80.183 ± 0.003°
• γ: 77.273 ± 0.003°
• Cell volume: 1203.41 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes