Information card for entry 2010377

Structure parameters

• Formula: C14 H24 O3 S
• Calculated formula: C14 H24 O3 S
• SMILES: S1(O[C@@H]([C@@H](O1)C1CCCCC1)C1CCCCC1)=O
• Title of publication: 4,5-Dicyclohexyl-1,3,2-dioxathiolane 2-Oxide, C~14~H~24~O~3~S
• Authors of publication: Hellier, Desmond G.; Majid Motevalli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 129 - 131
• a: 11.007 ± 0.001 Å
• b: 19.1 ± 0.003 Å
• c: 14.976 ± 0.002 Å
• α: 90°
• β: 110.21 ± 0.02°
• γ: 90°
• Cell volume: 2954.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections: 0.1228
• Weighted residual factors for significantly intense reflections: 0.1153
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.242
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No