Information card for entry 2105710

Structure parameters

• Chemical name: rac-1,2-dicyclohexylethane-1,2-diol
• Formula: C14 H26 O2
• Calculated formula: C14 H26 O2
• Title of publication: S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
• Authors of publication: Patrick, Brian O.; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: 488 - 497
• a: 23.153 ± 0.005 Å
• b: 11.852 ± 0.003 Å
• c: 10.926 ± 0.002 Å
• α: 90°
• β: 104.64 ± 0.02°
• γ: 90°
• Cell volume: 2900.9 ± 1.1 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 2100481
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No