Information card for entry 2229673

Structure parameters

• Chemical name: 2-[(1<i>R</i>*,4<i>R</i>*)-1,4-dihydroxycyclohexyl]acetic acid
• Formula: C8 H14 O4
• Calculated formula: C8 H14 O4
• SMILES: OC(=O)CC1(O)CCC(O)CC1
• Title of publication: 2-[(1<i>R</i>*,4<i>R</i>*)-1,4-Dihydroxycyclohexyl]acetic acid
• Authors of publication: Arfan, Mohammad; Hussain, Syed Hamid; Tahir, M. Nawaz; Rafique, Jamal; Shaheen, Farzana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o968
• a: 5.7301 ± 0.0004 Å
• b: 6.3493 ± 0.0003 Å
• c: 6.4964 ± 0.0004 Å
• α: 92.863 ± 0.002°
• β: 97.223 ± 0.001°
• γ: 108.258 ± 0.002°
• Cell volume: 221.67 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes