Information card for entry 1566588

Structure parameters

• Formula: C36 H32 F3 N O5 S
• Calculated formula: C36 H32 F3 N O5 S
• Title of publication: Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins
• Authors of publication: Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 29.3277 ± 0.0009 Å
• b: 7.49483 ± 0.00019 Å
• c: 18.2663 ± 0.0006 Å
• α: 90°
• β: 124.382 ± 0.005°
• γ: 90°
• Cell volume: 3313.6 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No