Information card for entry 7243855

Structure parameters

• Formula: C22 H19 N O3 S Se
• Calculated formula: C22 H19 N O3 S Se
• SMILES: [Se]([C@H]([C@H](N1S(=O)(=O)c2ccccc2C1=O)c1ccccc1)C)c1ccccc1.[Se]([C@@H]([C@@H](N1S(=O)(=O)c2ccccc2C1=O)c1ccccc1)C)c1ccccc1
• Title of publication: Visible-light-induced intermolecular aminoselenation of alkenes
• Authors of publication: Liu, Gong-Qing; Zhou, Chen-Fan; Zhang, Yun-Qian; Yi, Wei; Wang, Peng-Fei; Liu, Ji; Ling, Yong
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 9968 - 9973
• a: 9.4942 ± 0.0008 Å
• b: 18.7603 ± 0.001 Å
• c: 11.8071 ± 0.0008 Å
• α: 90°
• β: 112.137 ± 0.009°
• γ: 90°
• Cell volume: 1948 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No