Information card for entry 1566589

Structure parameters

• Formula: C33 H34 Cl N O2
• Calculated formula: C33 H34 Cl N O2
• 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: 11.1324 ± 0.0007 Å
• b: 7.5493 ± 0.0006 Å
• c: 16.7445 ± 0.0013 Å
• α: 90°
• β: 90.526 ± 0.007°
• γ: 90°
• Cell volume: 1407.18 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No