Information card for entry 2224352

Structure parameters

• Chemical name: 4-(1-Naphthyl)benzoic acid
• Formula: C17 H12 O2
• Calculated formula: C17 H12 O2
• SMILES: OC(=O)c1ccc(cc1)c1cccc2c1cccc2
• Title of publication: 4-(1-Naphthyl)benzoic acid
• Authors of publication: Lima, Carlos F. R. A. C.; Gomes, Ligia R.; Santos, Luís M. N. B. F.; Low, John Nicolson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3037
• a: 3.8972 ± 0.0006 Å
• b: 40.511 ± 0.006 Å
• c: 7.6106 ± 0.0012 Å
• α: 90°
• β: 99.323 ± 0.003°
• γ: 90°
• Cell volume: 1185.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes