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Information card for entry 1520476
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| Coordinates | 1520476.cif |
|---|
| Formula | C13 H0 F3 N |
|---|---|
| Calculated formula | C13 H7 F4 N |
| SMILES | Fc1c(F)c(F)ccc1/N=C/c1ccc(F)cc1 |
| Title of publication | (E)-2,3,4-trifluoro-N-(4-fluorobenzylidene)aniline |
| Authors of publication | Threlfall, T.; Tizzard, G.; Ling, S.; Coles, S. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2010 |
| Pages of publication | 1428 |
| a | 6.5932 ± 0.0003 Å |
| b | 7.409 ± 0.0005 Å |
| c | 21.4824 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1049.39 ± 0.11 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0676 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1392 |
| Weighted residual factors for all reflections included in the refinement | 0.1738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.685 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 138997 (current) | 2015-06-09 | cif/ Adding structures of 1520476 via cif-deposit CGI script. |
1520476.cif |
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Users of the data should acknowledge the original authors of the
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