Information card for entry 2208980

Structure parameters

• Chemical name: Methyl (E,E)-(2-[({[1,3-dimethyl-5-(2-fluorophenoxy)-1H-pyrazol-4- ylmethylene]amino}oxy)methyl]phenyl)-2-(methoxyimino)acetate
• Formula: C23 H23 F N4 O5
• Calculated formula: C23 H23 F N4 O5
• Title of publication: Methyl (<i>E</i>,<i>E</i>)-{2-[({[1,3-dimethyl-5-(2-fluorophenoxy)-1<i>H</i>-pyrazol-4-ylmethylene]amino}oxy)methyl]phenyl}-2-(methoxyimino)acetate
• Authors of publication: Yan Li; Xiang-Ping Yang; Hong-Quan Zhang; Xiang-Gao Meng; Zhao-Jie Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2027 - o2029
• a: 14.2781 ± 0.001 Å
• b: 16.1865 ± 0.0012 Å
• c: 20.1828 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4664.5 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes