Information card for entry 7154493

Structure parameters

• Formula: C6 H13 N O6 S
• Calculated formula: C6 H13 N O6 S
• SMILES: S(=O)(=O)(N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)C
• Title of publication: Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.
• Authors of publication: Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6573 - 6579
• a: 5.14008 ± 0.00006 Å
• b: 9.60877 ± 0.00009 Å
• c: 18.4697 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 912.216 ± 0.017 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.0293
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No