Information card for entry 2214371

Structure parameters

• Chemical name: 3-fluorosalicylaldoxime
• Formula: C7 H6 F N O2
• Calculated formula: C7 H6 F N O2
• SMILES: ON=Cc1c(O)c(F)ccc1
• Title of publication: 3-Fluorosalicylaldoxime
• Authors of publication: Peter A. Wood; Ross S. Forgan; Simon Parsons; Elna Pidcock; Peter A. Tasker
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3132 - o3132
• a: 7.0497 ± 0.0003 Å
• b: 10.5161 ± 0.0004 Å
• c: 9.1022 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 674.79 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0417
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes