Information card for entry 2009749

Structure parameters

• Formula: C8 H14 O10 S2
• Calculated formula: C8 H14 O10 S2
• SMILES: S(=O)(=O)(OC[C@H](O)[C@@H]1OC(=O)[C@H](OS(=O)(=O)C)[C@@H]1O)C
• Title of publication: 2,6-Dimesyl-<small>D</small>-<i>manno</i>-hexono- (III), 2,6-dimesyl-<small>D</small>-<i>allo</i>-hexono- (IV) and 2,6-dimesyl-<small>D</small>-<i>gulo</i>-hexono-1,4-lactone (V)
• Authors of publication: Søtofte, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 941 - 945
• a: 16.548 ± 0.007 Å
• b: 14.854 ± 0.008 Å
• c: 5.377 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1322 ± 2 ų
• Cell temperature: 120 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.106
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No