Information card for entry 7243857

Structure parameters

• Formula: C24 H29 N O2 S Se
• Calculated formula: C24 H29 N O2 S Se
• SMILES: [Se](C[C@@H](N1S(=O)(=O)C[C@@]23CC[C@@H](C[C@H]12)C3(C)C)c1ccccc1)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: 9.8465 ± 0.0007 Å
• b: 23.1935 ± 0.0015 Å
• c: 10.1145 ± 0.0008 Å
• α: 90°
• β: 108.968 ± 0.008°
• γ: 90°
• Cell volume: 2184.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No