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Information card for entry 2010476
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Coordinates | 2010476.cif |
---|
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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2010476.html
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