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Information card for entry 2242184
Preview
| Coordinates | 2242184.cif |
|---|---|
| Structure factors | 2242184.hkl |
| Original paper (by DOI) | HTML |
| Common name | <i>N</i>,<i>N</i>'-Didecylpyromellitic diimide |
|---|---|
| Chemical name | 2,6-Didecylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-tetraone |
| Formula | C30 H44 N2 O4 |
| Calculated formula | C30 H44 N2 O4 |
| SMILES | O=C1N(CCCCCCCCCC)C(=O)c2c1cc1C(=O)N(C(=O)c1c2)CCCCCCCCCC |
| Title of publication | Crystal structure of <i>N</i>,<i>N</i>'-didecylpyromellitic diimide |
| Authors of publication | Im, Hansu; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 838 - 841 |
| a | 30.6365 ± 0.0016 Å |
| b | 5.0149 ± 0.0003 Å |
| c | 8.9393 ± 0.0005 Å |
| α | 90° |
| β | 93.98 ± 0.003° |
| γ | 90° |
| Cell volume | 1370.11 ± 0.13 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199154 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242184 via cif-deposit CGI script. |
2242184.cif 2242184.hkl |
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Users of the data should acknowledge the original authors of the
structural data.