Information card for entry 4033794

Structure parameters

• Formula: C17 H17 N O4 S
• Calculated formula: C17 H17 N O4 S
• SMILES: C1(=O)c2ccccc2C(CS(=O)(=O)c2ccc(cc2)C)N1OC
• Title of publication: Synthesis of Sulfonylated Lactams by Copper-Mediated Aminosulfonylation of 2-Vinylbenzamides with Sodium Sulfinates.
• Authors of publication: Wang, Li-Jing; Chen, Jia-Min; Dong, Wei; Hou, Cong-Ying; Pang, Mingming; Jin, Wen-Bo; Dong, Fu-Gui; Xu, Zhi-Dong; Li, Wei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 2330 - 2338
• a: 12.0189 ± 0.001 Å
• b: 9.9953 ± 0.0008 Å
• c: 13.3769 ± 0.0011 Å
• α: 90°
• β: 90.839 ± 0.002°
• γ: 90°
• Cell volume: 1606.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No