Information card for entry 7124071

Structure parameters

• Formula: C48 H42 Br2 F6 N4 O5
• Calculated formula: C48 H42 Br2 F6 N4 O5
• 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: 26.455 ± 0.002 Å
• b: 6.3246 ± 0.0002 Å
• c: 14.0068 ± 0.0009 Å
• α: 90°
• β: 109.467 ± 0.009°
• γ: 90°
• Cell volume: 2209.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No