Information card for entry 2231019

Structure parameters

• Chemical name: 4,4,5,5-Tetramethyl-1,3,2λ^5^-dioxaphospholan-2-one
• Formula: C6 H13 O3 P
• Calculated formula: C6 H13 O3 P
• SMILES: P1(=O)OC(C)(C)C(O1)(C)C
• Title of publication: 4,4,5,5-Tetramethyl-1,3,2λ^5^-dioxaphospholan-2-one
• Authors of publication: Skarżyńska, Anna; Trzeciak, Anna M.; Gniewek, Andrzej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2159
• a: 7.144 ± 0.002 Å
• b: 7.57 ± 0.002 Å
• c: 15.064 ± 0.004 Å
• α: 90°
• β: 90.98 ± 0.02°
• γ: 90°
• Cell volume: 814.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes