Information card for entry 7243856

Structure parameters

• Formula: C24 H21 N O3 S Se
• Calculated formula: C24 H21 N O3 S Se
• SMILES: [Se](c1ccccc1)CC(N1S(=O)(=O)c2c(C1=O)cccc2)(c1ccccc1)C1CC1
• 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: 14.6984 ± 0.0011 Å
• b: 11.124 ± 0.0005 Å
• c: 14.3493 ± 0.0011 Å
• α: 90°
• β: 117.396 ± 0.01°
• γ: 90°
• Cell volume: 2083.1 ± 0.3 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0429
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No