Information card for entry 2222078

Structure parameters

• Chemical name: <i>cis</i>-Cyclohexane-1,4-dicarboxylic acid
• Formula: C8 H12 O4
• Calculated formula: C8 H12 O4
• SMILES: O=C(O)[C@H]1CC[C@H](CC1)C(=O)O
• Title of publication: <i>cis</i>-Cyclohexane-1,4-dicarboxylic acid
• Authors of publication: Wang, Yan-Qin; Weng, Jia-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1293
• a: 5.2912 ± 0.0006 Å
• b: 6.2611 ± 0.0006 Å
• c: 13.1851 ± 0.0018 Å
• α: 82.505 ± 0.01°
• β: 80.309 ± 0.011°
• γ: 81.875 ± 0.01°
• Cell volume: 423.7 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes