Information card for entry 2204730

Structure parameters

• Chemical name: ethyl [(Z)-2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidenemethyl)- 1-methyl-3-oxo-but-1-enylamino]acetate
• Formula: C16 H21 N O7
• Calculated formula: C16 H21 N O7
• Title of publication: The polyfunctionalized enaminone ethyl [(<i>Z</i>)-2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidenemethyl)-1-methyl-3-oxo-but-1-enylamino]acetate
• Authors of publication: Vencato, Ivo; Cunha, Silvio; Ferrari, Jailton; Napolitano, Hamilton B.; Lariucci, Carlito
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2479 - o2481
• a: 16.324 ± 0.002 Å
• b: 9.478 ± 0.001 Å
• c: 11.062 ± 0.002 Å
• α: 90°
• β: 103.69 ± 0.01°
• γ: 90°
• Cell volume: 1662.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes