Information card for entry 2234407

Structure parameters

• Common name: Sodium (1<i>R</i>)-<i>D</i>-glucit-1-ylsulfonate monohydrate
• Chemical name: Sodium (1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-1,2,3,4,5,6-hexahydroxyhexane-1-sulfonate monohydrate
• Formula: C6 H15 Na O10 S
• Calculated formula: C6 H15 Na O10 S
• SMILES: [C@H](S(=O)(=O)[O-])(O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.[Na+].O
• Title of publication: Sodium (1<i>R</i>)-<small>D</small>-glucit-1-ylsulfonate monohydrate
• Authors of publication: Haines, Alan H.; Hughes, David L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m377 - m378
• a: 8.81958 ± 0.00009 Å
• b: 16.842 ± 0.0002 Å
• c: 22.7304 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3376.36 ± 0.07 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes