Information card for entry 7150109

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: 7.3712 ± 0.0005 Å
• b: 7.4301 ± 0.0005 Å
• c: 9.0586 ± 0.0006 Å
• α: 66.362 ± 0.001°
• β: 87.942 ± 0.001°
• γ: 64.538 ± 0.001°
• Cell volume: 404.73 ± 0.05 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No