Information card for entry 4110117

Structure parameters

• Common name: sulfonamide1
• Formula: C11 H15 N O2 S2
• Calculated formula: C11 H15 N O2 S2
• SMILES: S1(=O)(=O)N2CC(C[C@H]2Cc2c1scc2)(C)C
• Title of publication: Copper(II)-Catalyzed Enantioselective Intramolecular Carboamination of Alkenes
• Authors of publication: Wei Zeng; Sherry R. Chemler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12948 - 12949
• a: 11.2301 ± 0.0008 Å
• b: 9.3234 ± 0.0007 Å
• c: 22.775 ± 0.0017 Å
• α: 90°
• β: 92.51 ± 0.002°
• γ: 90°
• Cell volume: 2382.3 ± 0.3 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 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: 0.0317
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No