Information card for entry 1570308

Structure parameters

• Common name: 1-(1-Hydroxycyclohexyl)cyclohexan-1-ol
• Chemical name: [1,1'-Bicyclohexane]-1,1'-diol
• Formula: C12 H22 O2
• Calculated formula: C12 H22 O2
• Title of publication: [1,1′-Bicyclohexane]-1,1′-diol
• Authors of publication: Mtendeni, Zukisani; Hosten, Eric Cyriel; Betz, Richard
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 11
• Pages of publication: x230969
• a: 9.8996 ± 0.0007 Å
• b: 10.0299 ± 0.0007 Å
• c: 17.9841 ± 0.0013 Å
• α: 73.81 ± 0.003°
• β: 86.774 ± 0.004°
• γ: 83.592 ± 0.003°
• Cell volume: 1703.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No