Information card for entry 7243894

Structure parameters

• Formula: C23 H20 Cl N O4 S
• Calculated formula: C23 H20 Cl N O4 S
• SMILES: Clc1ccc(S(=O)(=O)CC(N(C(=O)c2ccccc2)C(=O)C)c2ccccc2)cc1
• Title of publication: Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions
• Authors of publication: Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 9571 - 9576
• a: 12.7213 ± 0.0003 Å
• b: 10.0584 ± 0.0003 Å
• c: 17.2909 ± 0.0005 Å
• α: 90°
• β: 106.273 ± 0.003°
• γ: 90°
• Cell volume: 2123.84 ± 0.11 ų
• Cell temperature: 292.4 ± 0.4 K
• Ambient diffraction temperature: 292.4 ± 0.4 K
• Number of distinct elements: 6
• 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: 0.0474
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No