Information card for entry 2013492

Structure parameters

• Chemical name: cis,cis,cis-1,2,4,5-cyclohexanetetracarboxylic dianhydride
• Formula: C10 H8 O6
• Calculated formula: C10 H8 O6
• SMILES: O=C1OC(=O)[C@H]2[C@@H]1C[C@@H]1[C@H](C2)C(=O)OC1=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: 13.591 ± 0.002 Å
• b: 9.306 ± 0.002 Å
• c: 7.711 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 975.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes