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Information card for entry 1520478
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Coordinates | 1520478.cif |
---|
Formula | C13 H0 F4 N |
---|---|
Calculated formula | C13 H7 F4 N |
SMILES | c1cc(/C=N/c2ccc(cc2)F)c(c(c1F)F)F |
Title of publication | (E)-4-fluoro-N-(2,3,4-trifluorobenzylidene)aniline |
Authors of publication | Tizzard, G.; Ling, S.; Threlfall, T.; Coles, S. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2010 |
Pages of publication | 1421 |
a | 6.5581 ± 0.0002 Å |
b | 22.185 ± 0.0006 Å |
c | 7.3736 ± 0.0003 Å |
α | 90° |
β | 101.043 ± 0.002° |
γ | 90° |
Cell volume | 1052.93 ± 0.06 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.1083 |
Weighted residual factors for all reflections included in the refinement | 0.1138 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1520478.html
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Users of the data should acknowledge the original authors of the
structural data.