Information card for entry 2013491

Structure parameters

• Chemical name: cis,cis,cis-1,2,4,5-cyclohexanetetracarboxylic acid
• Formula: C10 H12 O8
• Calculated formula: C10 H12 O8
• SMILES: OC(=O)[C@@H]1C[C@H](C(=O)O)[C@@H](C[C@@H]1C(=O)O)C(=O)O
• Title of publication: <i>cis</i>,<i>cis</i>,<i>cis</i>-1,2,4,5-Cyclohexanetetracarboxylic acid and its dianhydride
• Authors of publication: Akira Uchida; Masatoshi Hasegawa; Hiroshi Manami
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o435 - o438
• a: 5.9425 ± 0.0018 Å
• b: 12.436 ± 0.002 Å
• c: 14.999 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1108.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes