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Information card for entry 2202545
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| Coordinates | 2202545.cif |
|---|---|
| Structure factors | 2202545.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,3,4,5,6-Pentafluorobenzamide |
|---|---|
| Formula | C7 H2 F5 N O |
| Calculated formula | C7 H2 F5 N O |
| SMILES | Fc1c(c(F)c(F)c(F)c1F)C(=O)N |
| Title of publication | 2,3,4,5,6-Pentafluorobenzamide |
| Authors of publication | Maria Gdaniec |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 11 |
| Pages of publication | o1642 - o1644 |
| a | 12.7305 ± 0.0011 Å |
| b | 6.1929 ± 0.0006 Å |
| c | 9.5856 ± 0.001 Å |
| α | 90° |
| β | 100.073 ± 0.008° |
| γ | 90° |
| Cell volume | 744.07 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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