Information card for entry 1543744

Structure parameters

• Formula: C15 H17 N3 O4 S
• Calculated formula: C15 H17 N3 O4 S
• SMILES: S(=O)(=O)(N(CCc1ccc(N(=O)=O)cc1)Cc1ccccc1)N
• 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: 6.0617 ± 0.0002 Å
• b: 7.1812 ± 0.0002 Å
• c: 35.5229 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1546.32 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0349
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No