Information card for entry 2201974

Structure parameters

• Formula: C9 H13 N O5
• Calculated formula: C9 H13 N O5
• SMILES: O1C(C)(C)OC(=O)C(C1=O)=CN(C)OC
• Title of publication: 2,2-Dimethyl-5-(<i>N</i>-methyl-<i>N</i>-methoxyaminomethylene)-1,3-dioxane-4,6-dione
• Authors of publication: Blake, Alexander J.; McNab, Hamish; Withell, Kirsti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o841 - o842
• a: 6.477 ± 0.005 Å
• b: 7.769 ± 0.005 Å
• c: 11.675 ± 0.012 Å
• α: 98.04 ± 0.07°
• β: 100.5 ± 0.07°
• γ: 112.71 ± 0.05°
• Cell volume: 518.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes