Information card for entry 7150708

Structure parameters

• Common name: O-(p-nitrobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan
• Chemical name: O-(p-nitrobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan
• Formula: C12 H14 N O6 P Se
• Calculated formula: C12 H14 N O6 P Se
• SMILES: [Se]=P1(OCC(CO1)(C)C)OC(=O)c1ccc(N(=O)=O)cc1
• 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: 16.4014 ± 0.001 Å
• b: 7.6161 ± 0.0003 Å
• c: 12.2729 ± 0.0006 Å
• α: 90°
• β: 103.358 ± 0.006°
• γ: 90°
• Cell volume: 1491.59 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No