Information card for entry 2222909

Structure parameters

• Chemical name: 3-Fluorosalicylaldoxime
• Formula: C7 H6 F N O2
• Calculated formula: C7 H6 F N O2
• SMILES: O/N=C/c1c(O)c(F)ccc1
• Title of publication: 3-Fluorosalicylaldoxime at 6.5 GPa
• Authors of publication: Wood, Peter A.; Forgan, Ross S.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2001
• a: 6.156 ± 0.002 Å
• b: 9.751 ± 0.003 Å
• c: 8.6764 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 520.8 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Cell measurement pressure: 6500000 kPa
• 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: 0.053
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes