Information card for entry 2010476

Structure parameters

• Formula: C13 H8 F4 N2 O
• Calculated formula: C13 H8 F4 N2 O
• SMILES: CC(=N\Oc1nc(F)c(c(c1F)F)F)/c1ccccc1
• Title of publication: (E)-α-Acetophenone O-4-(2,3,5,6-Tetrafluoro)pyridyloxime, Formed by 2-Substitution of Pentafluoropyridine by (E)-Acetophenone Oximate
• Authors of publication: Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Pages of publication: 293 - 295
• a: 13.579 ± 0.003 Å
• b: 11.107 ± 0.002 Å
• c: 8.299 ± 0.001 Å
• α: 90°
• β: 105.9 ± 0.01°
• γ: 90°
• Cell volume: 1203.8 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.029
• Duplicate of: 2003206
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No