Information card for entry 2004473

Structure parameters

• Common name: 2-phenylquinoline-4-carboxylic acid
• Formula: C16 H11 N O2
• Calculated formula: C16 H11 N O2
• SMILES: OC(=O)c1cc(nc2c1cccc2)c1ccccc1
• Title of publication: 2-Phenylquinoline-4-carboxylic Acid
• Authors of publication: Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 409 - 411
• a: 15.379 ± 0.001 Å
• b: 19.324 ± 0.001 Å
• c: 3.915 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1163.5 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 1.42
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No