Information card for entry 4031125

Structure parameters

• Formula: C25 H29 N O Se
• Calculated formula: C25 H29 N O Se
• SMILES: [Se]=C(N(Cc1ccccc1)Cc1ccccc1)C1(O)C2CC3CC1CC(C2)C3
• 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: 13.509 ± 0.002 Å
• b: 14.199 ± 0.002 Å
• c: 21.895 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4199.8 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No