Information card for entry 2225511

Structure parameters

• Chemical name: Ethyl 6-chloro-2-[(2-chloro-7,8-dimethylquinolin-3-yl)methoxy]-4- phenylquinoline-3-carboxylate
• Formula: C30 H24 Cl2 N2 O3
• Calculated formula: C30 H24 Cl2 N2 O3
• SMILES: Clc1nc2c(c(ccc2cc1COc1nc2c(c(c1C(=O)OCC)c1ccccc1)cc(Cl)cc2)C)C
• Title of publication: Ethyl 6-chloro-2-[(2-chloro-7,8-dimethylquinolin-3-yl)methoxy]-4-phenylquinoline-3-carboxylate
• Authors of publication: Khan, F. Nawaz; Roopan, S. Mohana; Hathwar, Venkatesha R.; Akkurt, Mehmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o972 - o973
• a: 8.3187 ± 0.0005 Å
• b: 28.0038 ± 0.0017 Å
• c: 11.2093 ± 0.0007 Å
• α: 90°
• β: 98.721 ± 0.006°
• γ: 90°
• Cell volume: 2581.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1673
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes