Information card for entry 2205867

Structure parameters

• Chemical name: (E,E)-α-(Methoxyimino)-2-[({1-[3-(trifluoromethyl)phenyl]ethyl- idene}amino)oxymethyl]benzeneacetic acid
• Formula: C19 H17 F3 N2 O4
• Calculated formula: C19 H17 F3 N2 O4
• SMILES: CO/N=C(\c1ccccc1CO/N=C(/c1cccc(c1)C(F)(F)F)C)C(=O)O
• Title of publication: (<i>E,E</i>)-α-(Methoxyimino)-2-[({1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxymethyl]benzeneacetic acid
• 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: o1528 - o1529
• a: 13.6953 ± 0.0014 Å
• b: 9.0282 ± 0.0015 Å
• c: 16.302 ± 0.002 Å
• α: 90°
• β: 106.983 ± 0.007°
• γ: 90°
• Cell volume: 1927.7 ± 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: 0.1647
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes