Information card for entry 7101577

Structure parameters

• Common name: 1,1-Bis(4-Hydroxypheyl)cyclohexane
• Chemical name: 1,1-Bis(4-Hydroxypheyl)cyclohexane
• Formula: C18 H20 O2
• Calculated formula: C18 H20 O2
• SMILES: Oc1ccc(C2(CCCCC2)c2ccc(O)cc2)cc1
• Title of publication: Polymorphs of 1,1-bis(4-hydroxyphenyl)cyclohexane and multiple Z' structures by melt and sublimation crystallization
• Authors of publication: A.Nangia; S.Roy; B.Sarma
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 47
• a: 6.2275 ± 0.0006 Å
• b: 10.848 ± 0.001 Å
• c: 11.3359 ± 0.0011 Å
• α: 101.611 ± 0.002°
• β: 103.424 ± 0.001°
• γ: 103.117 ± 0.002°
• Cell volume: 698.9 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No