Information card for entry 7223303

Structure parameters

• Formula: C18 H13 F4 N O2
• Calculated formula: C18 H13 F4 N O2
• SMILES: FC(F)(F)C1(OCC(=C)N(C1=O)c1ccc(F)cc1)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: 12.352 ± 0.003 Å
• b: 9.575 ± 0.0019 Å
• c: 13.866 ± 0.003 Å
• α: 90°
• β: 106.33 ± 0.03°
• γ: 90°
• Cell volume: 1573.8 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No