Information card for entry 2238513

Structure parameters

• Chemical name: 6-Chloro-2-(4-methoxyphenyl)-4-phenylquinoline
• Formula: C22 H16 Cl N O
• Calculated formula: C22 H16 Cl N O
• SMILES: COc1ccc(cc1)c1nc2ccc(cc2c(c1)c1ccccc1)Cl
• Title of publication: 6-Chloro-2-(4-methoxyphenyl)-4-phenylquinoline
• Authors of publication: Saravanan, B.; Thamilarasan, V.; Sengottuvelan, N.; Chakkaravarthi, G.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1463
• a: 10.5922 ± 0.0005 Å
• b: 8.2883 ± 0.0003 Å
• c: 19.1885 ± 0.0009 Å
• α: 90°
• β: 92.988 ± 0.003°
• γ: 90°
• Cell volume: 1682.29 ± 0.13 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: 0.0592
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes