Information card for entry 2209427

Structure parameters

• Chemical name: (E)-4-(Trifluoromethyl)benzaldehyde oxime
• Formula: C8 H6 F3.01 N O
• Calculated formula: C8.003 H6 F3.009 N O
• SMILES: O/N=C/c1ccc(cc1)C(F)(F)F
• Title of publication: (<i>E</i>)-4-(Trifluoromethyl)benzaldehyde oxime
• Authors of publication: Xi-Zhao Wang; Jian-Wu Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2683 - o2684
• a: 7.543 ± 0.004 Å
• b: 7.395 ± 0.004 Å
• c: 15.058 ± 0.008 Å
• α: 90°
• β: 99.278 ± 0.007°
• γ: 90°
• Cell volume: 829 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes