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Information card for entry 7234652
Preview
| Coordinates | 7234652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Pyrene, 1,3,6,8-tetrakis(4-fluorophenyl)- |
|---|---|
| Formula | C40 H22 F4 |
| Calculated formula | C40 H22 F4 |
| 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 | 3.914 ± 0.003 Å |
| b | 11.932 ± 0.01 Å |
| c | 27.87 ± 0.02 Å |
| α | 90° |
| β | 90.739 ± 0.012° |
| γ | 90° |
| Cell volume | 1301.5 ± 1.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| 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 | 0.1332 |
| Residual factor for significantly intense reflections | 0.1071 |
| Weighted residual factors for significantly intense reflections | 0.2833 |
| Weighted residual factors for all reflections included in the refinement | 0.3119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0639 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7234652.cif |
| 219383 | 2019-10-16 | cif/ Adding structures of 7234651, 7234652, 7234653, 7234654, 7234655, 7234656 via cif-deposit CGI script. |
7234652.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.