Information card for entry 2005321

Structure parameters

• Common name: Biphenyl-3-carboxylic acid
• Formula: C13 H10 O2
• Calculated formula: C13 H10 O2
• SMILES: OC(=O)c1cccc(c1)c1ccccc1
• Title of publication: Biphenyl-3-carboxylic Acid at 296 and 203K
• 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: 9
• Pages of publication: 2320 - 2323
• a: 41.121 ± 0.002 Å
• b: 7.039 ± 0.002 Å
• c: 7.085 ± 0.002 Å
• α: 90°
• β: 94.9 ± 0.01°
• γ: 90°
• Cell volume: 2043.3 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No