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Information card for entry 2241945
Preview
| Coordinates | 2241945.cif |
|---|---|
| Structure factors | 2241945.hkl |
| Original paper (by DOI) | HTML |
| Common name | <i>N</i>,<i>N</i>'-Dibenzylpyromellitic diimide |
|---|---|
| Chemical name | 2,6-Dibenzylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-\ tetraone |
| Formula | C24 H16 N2 O4 |
| Calculated formula | C24 H16 N2 O4 |
| SMILES | c1ccccc1CN1C(=O)c2c(C1=O)cc1C(=O)N(Cc3ccccc3)C(=O)c1c2 |
| Title of publication | Crystal structure of <i>N</i>,<i>N</i>'-dibenzylpyromellitic diimide |
| Authors of publication | Im, Hansu; Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1809 - 1811 |
| a | 6.15 ± 0.0005 Å |
| b | 4.7475 ± 0.0003 Å |
| c | 31.002 ± 0.002 Å |
| α | 90° |
| β | 90.461 ± 0.003° |
| γ | 90° |
| Cell volume | 905.14 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188490 (current) | 2016-11-16 | cif/ hkl/ Adding structures of 2241945 via cif-deposit CGI script. |
2241945.cif 2241945.hkl |
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Users of the data should acknowledge the original authors of the
structural data.