Information card for entry 2015652

Structure parameters

• Common name: [(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid
• Chemical name: [(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid
• Formula: C6 H12 N O5 P
• Calculated formula: C6 H12 N O5 P
• SMILES: C1(=O)N(C(CO1)(C)C)CP(=O)(O)O
• Title of publication: [(4,4-Dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid
• Authors of publication: Petar Todorov; Emilia Naydenova; Rosica Petrova; Boris Shivachev; Kolio Troev
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o661 - o662
• a: 9.2775 ± 0.0013 Å
• b: 6.7213 ± 0.0016 Å
• c: 14.875 ± 0.002 Å
• α: 90°
• β: 94.614 ± 0.011°
• γ: 90°
• Cell volume: 924.6 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• 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: 0.1324
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes