Information card for entry 2240109

Structure parameters

• Common name: Potassium (1<i>R</i>)-<i>D</i>-ribit-1-ylsulfonate
• Chemical name: Potassium (1<i>R</i>,2<i>R</i>,3<i>R</i>,4<i>R</i>)-1,2,3,4,5-pentahydroxypentane-1-sulfonate
• Formula: C5 H11 K O8 S
• Calculated formula: C5 H11 K O8 S
• SMILES: [K+].[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)(O)S(=O)(=O)[O-]
• Title of publication: Crystal structure of potassium (1<i>R</i>)-<small>D</small>-ribit-1-ylsulfonate
• Authors of publication: Haines, Alan H.; Hughes, David L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 406 - 409
• a: 5.36167 ± 0.00008 Å
• b: 9.01474 ± 0.00014 Å
• c: 9.78623 ± 0.00017 Å
• α: 90°
• β: 102.814 ± 0.0016°
• γ: 90°
• Cell volume: 461.228 ± 0.013 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes