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Information card for entry 1568787
Preview
| Coordinates | 1568787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H50 N2 O4 |
|---|---|
| Calculated formula | C36 H50 N2 O4 |
| SMILES | C1(=O)c2c3c(C(=O)N1CCCCCCCCCCC)ccc1C(=O)N(C(=O)c(c31)cc2)CCCCCCCCCCC |
| 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 | 7.8478 ± 0.0006 Å |
| b | 4.8691 ± 0.0003 Å |
| c | 42.509 ± 0.003 Å |
| α | 90° |
| β | 92.142 ± 0.006° |
| γ | 90° |
| Cell volume | 1623.2 ± 0.2 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 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 | 0.0847 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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 |
|---|---|---|---|
| 282366 (current) | 2023-04-05 | cif/ Adding structures of 1568787 via cif-deposit CGI script. |
1568787.cif |
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Users of the data should acknowledge the original authors of the
structural data.