Information card for entry 4031127

Structure parameters

• Formula: C22 H19 N O Se
• Calculated formula: C22 H19 N O Se
• SMILES: [C@H](C(=O)c1ccccc1)(N(Cc1ccccc1)Cc1ccccc1)[Se]
• Title of publication: α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.
• Authors of publication: Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 13
• Pages of publication: 6903 - 6907
• a: 6.9162 ± 0.0002 Å
• b: 7.8388 ± 0.0002 Å
• c: 9.2345 ± 0.0003 Å
• α: 103.149 ± 0.001°
• β: 106.046 ± 0.002°
• γ: 99.634 ± 0.002°
• Cell volume: 454.13 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No