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Information card for entry 7234871
Preview
| Coordinates | 7234871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H23 N O S2 |
|---|---|
| Calculated formula | C31 H23 N O S2 |
| SMILES | s1c(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(c2ccc(OC)cc2)c2sccc12 |
| 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 | 23.492 ± 0.0015 Å |
| b | 9.2655 ± 0.0005 Å |
| c | 22.1072 ± 0.0012 Å |
| α | 90° |
| β | 92.766 ± 0.004° |
| γ | 90° |
| Cell volume | 4806.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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. |
7234871.cif |
| 220541 | 2019-10-30 | cif/ Adding structures of 7234871, 7234872, 7234873 via cif-deposit CGI script. |
7234871.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.