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Information card for entry 2005543
Preview
| Coordinates | 2005543.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N-(pentafluoro-phenyl)-trifluoro-acetamide |
|---|---|
| Formula | C8 H F8 N O |
| Calculated formula | C8 H F8 N O |
| SMILES | c1(c(c(c(c(c1F)F)F)F)F)NC(=O)C(F)(F)F |
| Title of publication | α,α,α,2,3,4,5,6-Octafluoroacetanilide |
| Authors of publication | Mahoui, A.; Lapasset, J.; Moret, J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 10 |
| Pages of publication | 2583 - 2585 |
| a | 11.23 ± 0.03 Å |
| b | 9.66 ± 0.03 Å |
| c | 8.89 ± 0.03 Å |
| α | 90° |
| β | 98.2 ± 0.03° |
| γ | 90° |
| Cell volume | 955 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0561 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for all reflections | 0.1234 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Goodness-of-fit parameter for all reflections | 1.078 |
| Goodness-of-fit parameter for significantly intense reflections | 1.11 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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