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Information card for entry 1568788
Preview
| Coordinates | 1568788.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H34 N2 O4 |
|---|---|
| Calculated formula | C28 H34 N2 O4 |
| SMILES | C(CCCCCC)N1C(=O)c2c3c(C1=O)ccc1C(=O)N(CCCCCCC)C(=O)c(c31)cc2 |
| Title of publication | Synthesis, Solution, and Solid State Properties of Homological Dialkylated Naphthalene Diimides—A Systematic Review of Molecules for Next-Generation Organic Electronics |
| Authors of publication | Chlebosz, Dorota; Goldeman, Waldemar; Janus, Krzysztof; Szuster, Michał; Kiersnowski, Adam |
| Journal of publication | Molecules |
| Year of publication | 2023 |
| Journal volume | 28 |
| Journal issue | 7 |
| Pages of publication | 2940 |
| a | 7.873 ± 0.0002 Å |
| b | 4.84356 ± 0.00013 Å |
| c | 33.0246 ± 0.0009 Å |
| α | 90° |
| β | 95.025 ± 0.003° |
| γ | 90° |
| Cell volume | 1254.5 ± 0.06 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 0.0565 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282367 (current) | 2023-04-05 | cif/ Adding structures of 1568788 via cif-deposit CGI script. |
1568788.cif |
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Users of the data should acknowledge the original authors of the
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