Information card for entry 7101576

Structure parameters

• Common name: 1,1-bis(4-Hydroxyphenyl)cyclohexane
• Chemical name: 1,1-bis(4-Hydroxyphenyl)cyclohexane
• Formula: C18 H20 O2
• Calculated formula: C18 H20 O2
• SMILES: Oc1ccc(cc1)C1(c2ccc(O)cc2)CCCCC1
• 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: 9.6278 ± 0.0005 Å
• b: 20.9561 ± 0.0011 Å
• c: 28.0324 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5655.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No