Information card for entry 2223047

Structure parameters

• Chemical name: 2,2-Dimethyl-5-(1-naphthylaminomethylene)-1,3-dioxane-4,6-dione
• Formula: C17 H15 N O4
• Calculated formula: C17 H15 N O4
• SMILES: O1C(OC(=O)C(C1=O)=CNc1cccc2ccccc12)(C)C
• Title of publication: 2,2-Dimethyl-5-(1-naphthylaminomethylene)-1,3-dioxane-4,6-dione
• Authors of publication: Li, Zhi; Li, Rui; Ding, Zhen-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2289
• a: 7.4696 ± 0.0011 Å
• b: 8.0805 ± 0.0012 Å
• c: 12.124 ± 0.0018 Å
• α: 98.601 ± 0.002°
• β: 96.428 ± 0.002°
• γ: 92.198 ± 0.002°
• Cell volume: 717.87 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes