Information card for entry 4022936

Structure parameters

• Formula: C15 H23 N O2 S
• Calculated formula: C15 H23 N O2 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N1[C@@H](CC[C@@H]1C(C)C)C
• Title of publication: Pyrrolidine and Piperidine Formation via Copper(II) Carboxylate-Promoted Intramolecular Carboamination of Unactivated Olefins: Diastereoselectivity and Mechanism
• Authors of publication: Eric S. Sherman; Peter H. Fuller; Dhanalakshmi Kasi; Sherry R. Chemler
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3896 - 3905
• a: 7.849 ± 0.0002 Å
• b: 14.1571 ± 0.0003 Å
• c: 27.1001 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3011.34 ± 0.12 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0453
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No