Information card for entry 2009750

Structure parameters

• Formula: C8 H14 O10 S2
• Calculated formula: C8 H14 O10 S2
• SMILES: O[C@@H]([C@H]1OC(=O)[C@@H]([C@@H]1O)OS(=O)(=O)C)COS(=O)(=O)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: 10.277 ± 0.002 Å
• b: 5.26 ± 0.002 Å
• c: 12.07 ± 0.003 Å
• α: 90°
• β: 93.36 ± 0.02°
• γ: 90°
• Cell volume: 651.3 ± 0.3 ų
• Cell temperature: 120 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No