Information card for entry 2001647

Structure parameters

• Chemical name: cis-4-Cyclohexene-1,2-dicarboxylic Acid
• Formula: C8 H10 O4
• Calculated formula: C8 H10 O4
• SMILES: OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O
• Title of publication: Structure of <i>cis</i>-4-cyclohexene-1,2-dicarboxylic acid
• Authors of publication: Küppers, H.; Kim, S. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1218 - 1220
• a: 10.897 ± 0.001 Å
• b: 6.941 ± 0.001 Å
• c: 6.345 ± 0.001 Å
• α: 64.28 ± 0.01°
• β: 74.32 ± 0.01°
• γ: 74.81 ± 0.01°
• Cell volume: 410.44 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No