Information card for entry 2205872

Structure parameters

• Chemical name: Methyl (Z,E)-α-methoxyimino-α-(1-{[3- (trifluoromethyl)phenyl]ethylideneaminooxymethyl}benzene)acetate
• Formula: C20 H19 F3 N2 O4
• Calculated formula: C20 H19 F3 N2 O4
• SMILES: FC(F)(F)c1cc(ccc1)C(=N\OCc1c(cccc1)/C(=N/OC)C(=O)OC)\C
• Title of publication: Methyl (<i>Z,E</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: o1569 - o1570
• a: 22.48 ± 0.0014 Å
• b: 22.1594 ± 0.0015 Å
• c: 7.7029 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3837.1 ± 0.5 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes