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Information card for entry 2242353
Preview
| Coordinates | 2242353.cif |
|---|---|
| Structure factors | 2242353.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>,<i>N</i>'-Bis(2,4-difluorobenzoyloxy)benzene-1,2:4,5-tetracarboximide |
|---|---|
| Formula | C24 H8 F4 N2 O8 |
| Calculated formula | C24 H8 F4 N2 O8 |
| Title of publication | Crystal structure of <i>N</i>,<i>N</i>'-bis(2,4-difluorobenzoyloxy)benzene-1,2:4,5-tetracarboximide |
| Authors of publication | Fusco, Sandra; Tuzi, Angela; Centore, Roberto; Carella, Antonio |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| Pages of publication | 225 - 228 |
| a | 17.1 ± 0.006 Å |
| b | 4.744 ± 0.002 Å |
| c | 13.662 ± 0.004 Å |
| α | 90° |
| β | 106.83 ± 0.02° |
| γ | 90° |
| Cell volume | 1060.8 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1052 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.0975 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242353.cif 2242353.hkl |
| 205875 | 2018-01-30 | cif/ hkl/ Adding structures of 2242353 via cif-deposit CGI script. |
2242353.cif 2242353.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.