Information card for entry 2012443

Structure parameters

• Formula: C18 H13 N O2
• Calculated formula: C18 H13 N O2
• SMILES: n1c(cc(cc1c1ccccc1)C(=O)O)c1ccccc1
• Title of publication: 2,6-Diphenylpyridine-4-carboxylic acid
• Authors of publication: Crispini, Alessandra; Neve, Francesco
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o34 - o35
• a: 16.524 ± 0.004 Å
• b: 5.2898 ± 0.0009 Å
• c: 17.021 ± 0.003 Å
• α: 90°
• β: 111.229 ± 0.017°
• γ: 90°
• Cell volume: 1386.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1272
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes