Information card for entry 7150706

Structure parameters

• Common name: O-(p-chlorobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan
• Chemical name: O-(p-chlorobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan
• Formula: C12 H14 Cl O4 P Se
• Calculated formula: C12 H14 Cl O4 P Se
• SMILES: [Se]=P1(OC(=O)c2ccc(Cl)cc2)OCC(CO1)(C)C
• 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: 10.964 ± 0.0002 Å
• b: 15.22 ± 0.0003 Å
• c: 8.8822 ± 0.0002 Å
• α: 90°
• β: 91.581 ± 0.002°
• γ: 90°
• Cell volume: 1481.63 ± 0.05 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: 0.0364
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No