Information card for entry 2241637

Structure parameters

• Chemical name: Sodium (1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>)-1,2,3,4,5-pentahydroxypentane-1-sulfonate
• Formula: C5 H11 Na O8 S
• Calculated formula: C5 H11 Na O8 S
• SMILES: [Na+].S(=O)(=O)([O-])[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O
• Title of publication: Crystal structure of sodium (1<i>S</i>)-<small>D</small>-lyxit-1-ylsulfonate
• Authors of publication: Haines, Alan H.; Hughes, David L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 628 - 631
• a: 4.8558 ± 0.0007 Å
• b: 5.8496 ± 0.001 Å
• c: 8.795 ± 0.0013 Å
• α: 76.517 ± 0.013°
• β: 81.528 ± 0.012°
• γ: 71.392 ± 0.014°
• Cell volume: 229.51 ± 0.07 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes