Information card for entry 4034831

Structure parameters

• Formula: C10 H11 N O S Se
• Calculated formula: C10 H11 N O S Se
• SMILES: [Se]=C(N1CCCC1)C(=O)c1sccc1
• Title of publication: Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.
• Authors of publication: Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 10
• Pages of publication: 5829 - 5835
• a: 10.079 ± 0.002 Å
• b: 9.9043 ± 0.0012 Å
• c: 11.905 ± 0.0019 Å
• α: 90°
• β: 107.125 ± 0.019°
• γ: 90°
• Cell volume: 1135.7 ± 0.3 ų
• Cell temperature: 294.4 ± 0.3 K
• Ambient diffraction temperature: 294.4 ± 0.3 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: 0.1099
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0279
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No