Information card for entry 2220707

Structure parameters

• Chemical name: 4,4'-(cyclohexane-1,1-diyl)diphenol methanol solvate
• Formula: C19 H24 O3
• Calculated formula: C19 H24 O3
• SMILES: Oc1ccc(C2(CCCCC2)c2ccc(O)cc2)cc1.OC
• Title of publication: 4,4'-(Cyclohexane-1,1-diyl)diphenol methanol solvate
• Authors of publication: Shuai, Jun; Liu, Ying; Liu, Mo; Liu, Dengke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o269
• a: 6.2245 ± 0.0012 Å
• b: 10.889 ± 0.002 Å
• c: 12.712 ± 0.003 Å
• α: 90.02 ± 0.03°
• β: 100.82 ± 0.03°
• γ: 90.03 ± 0.03°
• Cell volume: 846.3 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes