Information card for entry 2212862

Structure parameters

• Chemical name: 2,2-Dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione
• Formula: C10 H13 N O4
• Calculated formula: C10 H13 N O4
• SMILES: C1(=C2NCCC2)C(=O)OC(OC1=O)(C)C
• Title of publication: 2,2-Dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione
• Authors of publication: Sabino, Jose R.; Damasceno, Fabiano; Cunha, Silvio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1913 - o1915
• a: 5.5947 ± 0.0003 Å
• b: 9.1093 ± 0.0005 Å
• c: 10.3306 ± 0.0005 Å
• α: 90.988 ± 0.003°
• β: 92.799 ± 0.003°
• γ: 104.114 ± 0.003°
• Cell volume: 509.75 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes