Information card for entry 2215910

Structure parameters

• Chemical name: 1-Hydroxycyclohexanecarboxylic acid
• Formula: C7 H12 O3
• Calculated formula: C7 H12 O3
• SMILES: O=C(O)C1(O)CCCCC1
• Title of publication: 1-Hydroxycyclohexanecarboxylic acid
• Authors of publication: Liang-zhong Xu; Guang-Wei An; Xu-Dong Yang; Xu Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4213 - o4213
• a: 11.79 ± 0.002 Å
• b: 6.7956 ± 0.0014 Å
• c: 9.61 ± 0.0019 Å
• α: 90°
• β: 104.97 ± 0.03°
• γ: 90°
• Cell volume: 743.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes