Information card for entry 4110116

Structure parameters

• Common name: sulfonamide2
• Formula: C17 H23 N O2 S
• Calculated formula: C17 H23 N O2 S
• SMILES: S1(=O)(=O)N2CC3(C[C@H]2Cc2c1ccc(c2)C)CCCCC3
• 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: 9.2609 ± 0.0012 Å
• b: 10.9845 ± 0.0014 Å
• c: 15.0837 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1534.4 ± 0.3 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 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: 0.0249
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No