Information card for entry 7124070

Structure parameters

• Formula: C23 H21 F N2 O4 S
• Calculated formula: C23 H21 F N2 O4 S
• Title of publication: Photoredox Asymmetric Catalytic Enantioconvergent Substitution of 3-Chlorooxindoles
• Authors of publication: Zeng, Guangkuo; Li, Yunqiang; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.17133 ± 0.00016 Å
• b: 14.8909 ± 0.0005 Å
• c: 22.8926 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2103.75 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No