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Information card for entry 2214259
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| Coordinates | 2214259.cif |
|---|---|
| Structure factors | 2214259.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrafluoro-N-phenylphthalimide |
|---|---|
| Formula | C14 H5 F4 N O2 |
| Calculated formula | C14 H5 F4 N O2 |
| SMILES | Fc1c(F)c(F)c2C(=O)N(c3ccccc3)C(=O)c2c1F |
| Title of publication | Tetrafluoro-<i>N</i>-phenylphthalimide |
| Authors of publication | Fan Wen; Ren-Jie Ni; Cheng Yao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | o3153 - o3153 |
| a | 7.096 ± 0.0014 Å |
| b | 8.406 ± 0.0017 Å |
| c | 20.068 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1197 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0475 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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