Information card for entry 1543743

Structure parameters

• Formula: C13 H18 N2 O4 S
• Calculated formula: C13 H18 N2 O4 S
• SMILES: S1(=O)(=O)N(CC[C@@H](C(=O)OCC)N1)Cc1ccccc1
• Title of publication: Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides
• Authors of publication: Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• a: 6.1655 ± 0.0002 Å
• b: 9.5773 ± 0.0003 Å
• c: 24.0447 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1419.81 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0332
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No