Information card for entry 7246609

Structure parameters

• Formula: C19 H19 N O4 Se
• Calculated formula: C19 H19 N O4 Se
• SMILES: [Se](c1ccccc1)[C@H]1CCCC[C@@H]1OC(=O)c1ccc(N(=O)=O)cc1.[Se](c1ccccc1)[C@@H]1CCCC[C@H]1OC(=O)c1ccc(N(=O)=O)cc1
• 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: 6.042 ± 0.0006 Å
• b: 7.1534 ± 0.0007 Å
• c: 41.598 ± 0.004 Å
• α: 90°
• β: 91.97 ± 0.002°
• γ: 90°
• Cell volume: 1796.8 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.079
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No