Information card for entry 2227010

Structure parameters

• Chemical name: 1-{6-Chloro-2-[(2-chloro-8-methyl-3-quinolyl)methoxy]-4-phenylquinolin- 3-yl}ethanone
• Formula: C28 H20 Cl2 N2 O2
• Calculated formula: C28 H20 Cl2 N2 O2
• SMILES: Clc1nc2c(cc1COc1nc3c(c(c1C(=O)C)c1ccccc1)cc(Cl)cc3)cccc2C
• Title of publication: 1-{6-Chloro-2-[(2-chloro-8-methyl-3-quinolyl)methoxy]-4-phenylquinolin-3-yl}ethanone
• Authors of publication: Khan, F. Nawaz; Hathwar, Venkatesha R.; Kumar, Rajesh; Kumar, A. Sudheer; Akkurt, Mehmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1930
• a: 9.7396 ± 0.0004 Å
• b: 10.552 ± 0.0003 Å
• c: 13.0108 ± 0.0004 Å
• α: 88.73 ± 0.003°
• β: 68.127 ± 0.004°
• γ: 71.105 ± 0.004°
• Cell volume: 1166.61 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes