Information card for entry 7150711

Structure parameters

• Common name: 2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan
• Chemical name: 2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan
• Formula: C5 H12 N O2 P Se
• Calculated formula: C5 H12 N O2 P Se
• SMILES: [Se]=P1(OCC(CO1)(C)C)N
• Title of publication: Synthesis and structural investigation of N-acyl selenophosphoramides
• Authors of publication: Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 19
• Pages of publication: 4095 - 4100
• a: 7.7108 ± 0.0002 Å
• b: 10.9466 ± 0.0003 Å
• c: 10.9955 ± 0.0003 Å
• α: 90°
• β: 103.13 ± 0.003°
• γ: 90°
• Cell volume: 903.83 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No