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Information card for entry 7234872
Preview
| Coordinates | 7234872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H36 B N O2 S2 |
|---|---|
| Calculated formula | C41 H36 B N O2 S2 |
| SMILES | s1c2c(c(sc2cc1B(OC)c1c(cc(C)cc1C)C)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(OC)cc1 |
| Title of publication | Novel organoboron compounds derived from thieno[3,2-b]thiophene and triphenylamine units for OLED devices |
| Authors of publication | G. Turkoglu; M. E. Cinar; A. Buyruk; E. Tekin; S. P. Mucur; K. Kaya; T. Ozturk |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 6045 - 6053 |
| a | 37.895 ± 0.011 Å |
| b | 11.54 ± 0.003 Å |
| c | 16.393 ± 0.005 Å |
| α | 90° |
| β | 102.316 ± 0.009° |
| γ | 90° |
| Cell volume | 7004 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| 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. |
7234872.cif |
| 220541 | 2019-10-30 | cif/ Adding structures of 7234871, 7234872, 7234873 via cif-deposit CGI script. |
7234872.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.