Information card for entry 7124433

Structure parameters

• Formula: C21 H20 Br I N O5
• Calculated formula: C21 H20 Br I N O5
• Title of publication: Catalytic Asymmetric Cycloaddition with Unsymmetrical EWG-activated Alkenes to Fully Substituted Pyrrolidines Bearing Three Different Carbonyl Groups
• Authors of publication: Wu, Shi-Lu; Li, Ning; Yin, Guan-Wu; Xu, Zheng; Ye, Fei; Li, Li; Cui, Yu-Ming; Xu, Li-Wen
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 5.9203 ± 0.0013 Å
• b: 18.197 ± 0.004 Å
• c: 19.707 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2123.1 ± 0.8 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: 0.0371
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No