Information card for entry 1566587

Structure parameters

• Formula: C25 H21 F3 N2 O3 S
• Calculated formula: C25 H21 F3 N2 O3 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: 15.2479 ± 0.0002 Å
• b: 19.58181 ± 0.00019 Å
• c: 16.7407 ± 0.0003 Å
• α: 90°
• β: 116.095 ± 0.0019°
• γ: 90°
• Cell volume: 4488.95 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No