Information card for entry 2218377

Structure parameters

• Chemical name: <i>trans</i>-cyclohexane-1,2-dicarboxylic acid
• Formula: C8 H12 O4
• Calculated formula: C8 H12 O4
• SMILES: OC(=O)[C@H]1CCCC[C@@H]1C(=O)O.OC(=O)[C@@H]1CCCC[C@H]1C(=O)O
• Title of publication: Low-temperature redetermination of <i>trans</i>-cyclohexane-1,2-dicarboxylic acid
• Authors of publication: Rizal, Mohd. Razali; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o992
• a: 5.585 ± 0.001 Å
• b: 13.84 ± 0.003 Å
• c: 10.035 ± 0.002 Å
• α: 90°
• β: 96.114 ± 0.003°
• γ: 90°
• Cell volume: 771.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0528
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes