Information card for entry 2100482

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: 23.161 ± 0.005 Å
• b: 11.584 ± 0.003 Å
• c: 10.973 ± 0.002 Å
• α: 90°
• β: 106.1 ± 0.02°
• γ: 90°
• Cell volume: 2828.6 ± 1.1 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No