Information card for entry 1519354

Structure parameters

• Formula: C16 H10 O8
• Calculated formula: C16 H10 O8
• SMILES: c1c(cc(cc1c1cc(cc(c1)C(=O)O)C(=O)O)C(=O)O)C(=O)O
• Title of publication: Biphenyl-3,3',5,5'-tetracarboxylic acid
• Authors of publication: Hursthouse, Michael B.; Holmes, R.; Coles, Simon J.; Price, D. J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 119
• a: 8.1662 ± 0.0007 Å
• b: 14.3524 ± 0.0014 Å
• c: 12.093 ± 0.001 Å
• α: 90°
• β: 109.59 ± 0.004°
• γ: 90°
• Cell volume: 1335.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1848
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No