Information card for entry 1543887

Structure parameters

• Chemical name: 1,1'-Biphenyl-2,2',5,5'-tetracarboxylic acid
• Formula: C16 H10 O8
• Calculated formula: C16 H10 O8
• SMILES: OC(=O)c1cc(c2c(ccc(c2)C(=O)O)C(=O)O)c(cc1)C(=O)O
• Title of publication: 1,1'-Biphenyl-2,2',5,5'-tetracarboxylic acid
• Authors of publication: Li, Yan-Hong; Lu, Li-Ping
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161274
• a: 17.5105 ± 0.0015 Å
• b: 7.7068 ± 0.0007 Å
• c: 10.6885 ± 0.0013 Å
• α: 90°
• β: 107.553 ± 0.001°
• γ: 90°
• Cell volume: 1375.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes