Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7234655
Preview
| Coordinates | 7234655.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Thiophene, 2,2',2'',2'''-(1,3,6,8-pyrenetetrayl)tetrakis- |
|---|---|
| Formula | C32 H18 S4 |
| Calculated formula | C32 H18 S4 |
| Title of publication | Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs |
| Authors of publication | Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 3041 - 3058 |
| a | 13.688 ± 0.003 Å |
| b | 8.4634 ± 0.0016 Å |
| c | 10.987 ± 0.002 Å |
| α | 90° |
| β | 111.999 ± 0.003° |
| γ | 90° |
| Cell volume | 1180.1 ± 0.4 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 3 |
| 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 | 0.0396 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234655.cif |
| 219383 | 2019-10-16 | cif/ Adding structures of 7234651, 7234652, 7234653, 7234654, 7234655, 7234656 via cif-deposit CGI script. |
7234655.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.