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Information card for entry 1554252
Preview
| Coordinates | 1554252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H29 N5 |
|---|---|
| Calculated formula | C45 H29 N5 |
| SMILES | n1c2c3ccccc3c3ccccc3c2n(c1c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1nn2c(n1)cccc2)c1ccccc1 |
| Title of publication | A novel D–π–A blue fluorophore based on [1,2,4]triazolo[1,5-a]pyridine as an electron acceptor and its application in organic light-emitting diodes |
| Authors of publication | Cao, Chen; Chen, Wen-Cheng; Tian, Shuang; Chen, Jia-Xiong; Wang, Zhong-Yi; Zheng, Xu-Hui; Ding, Chong-Wei; Li, Jing-Hong; Zhu, Jie-Ji; Zhu, Ze-Lin; Tong, Qing-Xiao; Lee, Chun-Sing |
| Journal of publication | Materials Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | 1071 |
| a | 8.9145 ± 0.0003 Å |
| b | 13.2762 ± 0.0004 Å |
| c | 14.5859 ± 0.0005 Å |
| α | 110.467 ± 0.002° |
| β | 98.648 ± 0.002° |
| γ | 96.716 ± 0.002° |
| Cell volume | 1571.88 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1557 |
| Weighted residual factors for all reflections included in the refinement | 0.1674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554252.cif |
| 237065 | 2019-11-24 | cif/ Adding structures of 1554252 via cif-deposit CGI script. |
1554252.cif |
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structural data.