Information card for entry 7150108

Structure parameters

• Formula: C5 H11 N O5 S
• Calculated formula: C5 H11 N O5 S
• SMILES: C1[C@@H]([C@H](CO)NS(=O)(=O)O1)OC.C1[C@H]([C@@H](CO)NS(=O)(=O)O1)OC
• Title of publication: Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates.
• Authors of publication: Kenworthy, Martin N.; Taylor, Richard J. K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 603 - 611
• a: 7.4175 ± 0.0004 Å
• b: 8.7683 ± 0.0005 Å
• c: 12.4464 ± 0.0007 Å
• α: 90°
• β: 90.586 ± 0.001°
• γ: 90°
• Cell volume: 809.46 ± 0.08 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No