Information card for entry 2005722

Structure parameters

• Common name: 3-phenylsalicylic acid
• Chemical name: 2-hydroxybiphenyl-3-carboxylic acid
• Formula: C13 H10 O3
• Calculated formula: C13 H10 O3
• SMILES: OC(=O)c1cccc(c1O)c1ccccc1
• Title of publication: 2-Hydroxybiphenyl-3-carboxylic Acid (3-Phenylsalicylic Acid)
• Authors of publication: Dobson, A. J.; Gerkin, R. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3088 - 3091
• a: 40.877 ± 0.002 Å
• b: 6.96 ± 0.003 Å
• c: 7.371 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2097.1 ± 1.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No