Information card for entry 4038690

Structure parameters

• Formula: C17 H15 N O2 Se
• Calculated formula: C17 H15 N O2 Se
• SMILES: [Se](/C=C1/OC(=O)N(Cc2ccccc2)C1)c1ccccc1
• Title of publication: Copper/DTBP-Promoted Oxyselenation of Propargylic Amines with Diselenides and CO₂: Synthesis of Selenyl 2-Oxazolidinones.
• Authors of publication: Chen, Jia-Min; Qi, Lin; Zhang, Linlin; Li, Li-Jun; Hou, Cong-Ying; Li, Wei; Wang, Li-Jing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 16
• Pages of publication: 10924 - 10933
• a: 18.769 ± 0.003 Å
• b: 5.6852 ± 0.0009 Å
• c: 29.015 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3096.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No