Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1568789
Preview
| Coordinates | 1568789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H42 N2 O4 |
|---|---|
| Calculated formula | C32 H42 N2 O4 |
| SMILES | C(CCCCCCCC)N1C(=O)c2c3c(C1=O)ccc1C(=O)N(CCCCCCCCC)C(=O)c(cc2)c31 |
| 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 | 7.8486 ± 0.0005 Å |
| b | 4.8383 ± 0.0005 Å |
| c | 37.741 ± 0.002 Å |
| α | 90° |
| β | 95.026 ± 0.006° |
| γ | 90° |
| Cell volume | 1427.66 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0659 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1064 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.56087 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282368 (current) | 2023-04-05 | cif/ Adding structures of 1568789 via cif-deposit CGI script. |
1568789.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.