Information card for entry 2205876

Structure parameters

• Chemical name: Methyl (E,Z)-α-(methoxyimino)-2-[({1-[3- (trifluoromethyl)phenyl]ethylidene}amino)oxymethyl]benzeneacetate
• Formula: C20 H19 F3 N2 O4
• Calculated formula: C20 H19 F3 N2 O4
• SMILES: CO/N=C(\c1ccccc1CO/N=C(\c1cccc(c1)C(F)(F)F)C)C(=O)OC
• Title of publication: Methyl (<i>E,Z</i>)-α-(methoxyimino)-2-[({1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxymethyl]benzeneacetate
• Authors of publication: Banerjee, Kaushik; Ligon, Axel Patrick; Schürmann, Markus; Preut, Hans; Spiteller, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1752 - o1753
• a: 8.0256 ± 0.0012 Å
• b: 33.58 ± 0.005 Å
• c: 8.0957 ± 0.0011 Å
• α: 90°
• β: 111.566 ± 0.005°
• γ: 90°
• Cell volume: 2029.1 ± 0.5 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 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: 0.0899
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes