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Information card for entry 1519110
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| Coordinates | 1519110.cif |
|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519110.cif |
| 135412 | 2015-04-29 | cif/ Adding structures of 1519110 via cif-deposit CGI script. |
1519110.cif |
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Users of the data should acknowledge the original authors of the
structural data.