Information card for entry 4023126

Structure parameters

• Chemical name: N-((1RS,2RS,5SR)-bicyclo[3.1.0]hexan-2-yl)-2-methylpropane-2-sulfonamide
• Formula: C10 H19 N O2 S
• Calculated formula: C10 H19 N O2 S
• SMILES: S(=O)(=O)(C(C)(C)C)N[C@H]1[C@H]2[C@H](C2)CC1.S(=O)(=O)(C(C)(C)C)N[C@@H]1[C@@H]2[C@@H](C2)CC1
• Title of publication: Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines
• Authors of publication: David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 10009 - 10021
• a: 11.7827 ± 0.0005 Å
• b: 6.0089 ± 0.0002 Å
• c: 16.0233 ± 0.0007 Å
• α: 90°
• β: 91.4596 ± 0.0014°
• γ: 90°
• Cell volume: 1134.1 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0596
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.1666
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0606
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No