Information card for entry 7223304

Structure parameters

• Formula: C20 H20 N4 O4
• Calculated formula: C19 H16 F3 N O2
• SMILES: C(c1ccccc1)N1C(=C)COC(C1=O)(C(F)(F)F)c1ccccc1
• Title of publication: Novel exocyclic enamides: synthesis and evaluation of the fungicidal activities of 5-methylene-2-(trifluoromethyl)morpholin-3-one derivatives
• Authors of publication: Tian, Lei; Cui, Can; Zhu, Cong; Yang, Hui-Hui; Li, Jian-Qiang; Zhao, Wei-Guang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.474 ± 0.003 Å
• b: 11.122 ± 0.002 Å
• c: 14.777 ± 0.004 Å
• α: 68.911 ± 0.009°
• β: 89.618 ± 0.01°
• γ: 83.233 ± 0.009°
• Cell volume: 1593.7 ± 0.7 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.0622
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: Molybdenum
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No