Information card for entry 2011247

Structure parameters

• Chemical name: cis-4-cyclohexene-1,2-dicarboxylic acid
• Formula: C8 H10 O4
• Calculated formula: C8 H10 O4
• SMILES: [C@@H]1(C(=O)O)[C@H](C(=O)O)CC=CC1
• Title of publication: Redetermination of <i>cis</i>-4-cyclohexene-1,2-dicarboxylic acid at 173K
• Authors of publication: Bolte, Michael; Degen, Alexander
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e340 - e340
• a: 6.308 ± 0.004 Å
• b: 6.892 ± 0.004 Å
• c: 10.875 ± 0.007 Å
• α: 74.57 ± 0.01°
• β: 73.78 ± 0.01°
• γ: 64.41 ± 0.01°
• Cell volume: 403.6 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes