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Information card for entry 7234577
Preview
| Coordinates | 7234577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H26 S2 |
|---|---|
| Calculated formula | C44 H26 S2 |
| SMILES | C12(c3ccccc3c3cc4c5ccccc5C5(c4cc13)c1ccccc1Sc1ccccc51)c1ccccc1Sc1ccccc21 |
| Title of publication | Thioxanthene and dioxothioxanthene dihydroindeno[2,1-b]fluorenes: synthesis, properties and applications in green and sky blue phosphorescent OLEDs |
| Authors of publication | Maxime Romain; Cassandre Quinton; Denis Tondelier; Bernard Geffroy; Olivier Jeannin; Joelle Rault-Berthelot; Cyril Poriel |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 1692 - 1703 |
| a | 10.4125 ± 0.0002 Å |
| b | 12.731 ± 0.0003 Å |
| c | 12.7806 ± 0.0003 Å |
| α | 79.093 ± 0.001° |
| β | 72.634 ± 0.001° |
| γ | 73.834 ± 0.001° |
| Cell volume | 1542.61 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| 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 |
|---|---|---|---|
| 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. |
7234577.cif |
| 219328 | 2019-10-14 | cif/ Adding structures of 7234577, 7234578 via cif-deposit CGI script. |
7234577.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.