Information card for entry 1565908

Structure parameters

• Formula: C23 H26 N2 O3
• Calculated formula: C23 H26 N2 O3
• Title of publication: Metal-free, visible-light induced enantioselective three-component dicarbofunctionalization and oxytrifluoromethylation of enamines via chiral phosphoric acid catalysis
• Authors of publication: Liang, Hui; Ji, Dong-Sheng; Xu, Guo-Qiang; Luo, Yong-Chun; Zheng, Haixue; Xu, Peng-Fei
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1088 - 1094
• a: 9.4239 ± 0.0001 Å
• b: 10.0699 ± 0.0001 Å
• c: 11.235 ± 0.0001 Å
• α: 90°
• β: 103.712 ± 0.001°
• γ: 90°
• Cell volume: 1035.79 ± 0.018 ų
• Cell temperature: 298.3 ± 0.1 K
• Ambient diffraction temperature: 298.3 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No