Information card for entry 2207452

Structure parameters

• Chemical name: 5-[(4-Methoxyphenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
• Formula: C14 H15 N O5
• Calculated formula: C14 H15 N O5
• SMILES: c1cc(ccc1NC=C1C(=O)OC(OC1=O)(C)C)OC
• Title of publication: 5-[(4-Methoxyphenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
• Authors of publication: Silva, Luiz Everson da; Joussef, Antonio Carlos; Nunes, Ricardo José; Andrighetti-Fröhner, Carla Regina; Bortoluzzi, Adailton José
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4121 - o4122
• a: 13.007 ± 0.003 Å
• b: 7.1317 ± 0.0014 Å
• c: 14.743 ± 0.003 Å
• α: 90°
• β: 102.14 ± 0.03°
• γ: 90°
• Cell volume: 1337 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes