Information card for entry 4031128

Structure parameters

• Formula: C25 H29 N O2
• Calculated formula: C25 H29 N O2
• SMILES: O=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: 12.013 ± 0.004 Å
• b: 12.215 ± 0.003 Å
• c: 13.938 ± 0.004 Å
• α: 90°
• β: 105.871 ± 0.004°
• γ: 90°
• Cell volume: 1967.3 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.1163
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No