Information card for entry 7246610

Structure parameters

• Formula: C23 H18 Br N O3 S Se
• Calculated formula: C23 H18 Br N O3 S Se
• SMILES: Br/C(=C\c1ccccc1)C(N1S(=O)(=O)c2ccccc2C1=O)C[Se]c1ccccc1
• Title of publication: Versatile electrooxidative amino- and oxyselenation of alkenes
• Authors of publication: Wang, Renjie; Zhang, Nana; Zhang, Yonghong; Wang, Bin; Xia, Yu; Sun, Kai; Jin, Weiwei; Li, Xinyong; Liu, Chenjiang
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 3925 - 3930
• a: 9.9532 ± 0.0009 Å
• b: 24.647 ± 0.002 Å
• c: 17.5152 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4296.8 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No