Information card for entry 4034830

Structure parameters

• Formula: C11 H14 N2 O Se
• Calculated formula: C11 H14 N2 O Se
• SMILES: [Se]=C(N(CC)CC)C(=O)c1ncccc1
• 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: 13.1752 ± 0.0017 Å
• b: 7.1057 ± 0.0006 Å
• c: 13.7654 ± 0.0016 Å
• α: 90°
• β: 111.1 ± 0.014°
• γ: 90°
• Cell volume: 1202.3 ± 0.3 ų
• Cell temperature: 296.5 ± 0.2 K
• Ambient diffraction temperature: 296.5 ± 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: 0.1198
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No