Information card for entry 2225509

Structure parameters

• Chemical name: 5,5-Dimethyl-2-methylseleno-1,3,2-dioxaphosphorinan-2-one
• Formula: C6 H13 O3 P Se
• Calculated formula: C6 H13 O3 P Se
• SMILES: [Se](P1(=O)OCC(CO1)(C)C)C
• Title of publication: 5,5-Dimethyl-2-methylseleno-1,3,2-dioxaphosphorinan-2-one
• Authors of publication: Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o856
• a: 9.2252 ± 0.0004 Å
• b: 9.4842 ± 0.0004 Å
• c: 11.416 ± 0.0006 Å
• α: 90°
• β: 101.078 ± 0.005°
• γ: 90°
• Cell volume: 980.22 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes