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Information card for entry 1519110
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1519110.cif |
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Formula | C13 H0 F4 N |
---|---|
Calculated formula | C13 H7 F4 N |
SMILES | Fc1c(F)cc(/N=C/c2ccc(F)cc2)c(F)c1 |
Title of publication | (E)-2,4,5-trifluoro-N-(4-fluorobenzylidene)aniline |
Authors of publication | Tizzard, G; Threlfall, T; Ling, S; Coles, S |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2011 |
Pages of publication | 1424 |
a | 6.4649 ± 0.0004 Å |
b | 7.6187 ± 0.0004 Å |
c | 21.2897 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1048.61 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0877 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1319 |
Weighted residual factors for all reflections included in the refinement | 0.1728 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.668 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1519110.html
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Users of the data should acknowledge the original authors of the
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