Information card for entry 2209914

Structure parameters

• Chemical name: 5-[(Cyclohexylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
• Formula: C13 H19 N O4
• Calculated formula: C13 H19 N O4
• SMILES: N(C=C1C(=O)OC(OC1=O)(C)C)C1CCCCC1
• Title of publication: 5-[(Cyclohexylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
• Authors of publication: Vencato, Ivo; Cunha, Silvio; Ferrari, Jailton; Lariucci, Carlito; Xavier, Leandro C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3581 - o3583
• a: 20.905 ± 0.002 Å
• b: 10.222 ± 0.001 Å
• c: 12.516 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2674.6 ± 1.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes