Information card for entry 4034826

Structure parameters

• Formula: C11 H14 N2 O Se
• Calculated formula: C11 H14 N2 O Se
• SMILES: [Se]=C(N1CCCCC1)C(=O)c1[nH]ccc1
• 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: 14.3705 ± 0.0012 Å
• b: 8.1129 ± 0.0007 Å
• c: 10.191 ± 0.0008 Å
• α: 90°
• β: 93.616 ± 0.007°
• γ: 90°
• Cell volume: 1185.77 ± 0.17 ų
• Cell temperature: 295.6 ± 0.2 K
• Ambient diffraction temperature: 295.6 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0998
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No