Information card for entry 2215530

Structure parameters

• Common name: 1,2-Dicyclopentylethane-1,2-diol
• Chemical name: 1,2-Dicyclopentylethane-1,2-diol
• Formula: C12 H22 O2
• Calculated formula: C12 H22 O2
• SMILES: O[C@@H](C1CCCC1)[C@@H](O)C1CCCC1.O[C@H](C1CCCC1)[C@H](O)C1CCCC1
• Title of publication: 1,2-Dicyclopentylethane-1,2-diol
• Authors of publication: Betz, Richard; Herdlicka, Sonja; Klüfers, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3986 - o3986
• a: 22.55 ± 0.0007 Å
• b: 5.629 ± 0.0001 Å
• c: 17.9416 ± 0.0006 Å
• α: 90°
• β: 91.255 ± 0.002°
• γ: 90°
• Cell volume: 2276.85 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0814
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes