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Information card for entry 7237728
Preview
| Coordinates | 7237728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | TPA-PPI-OH |
|---|---|
| Formula | C45 H31 N3 O |
| Calculated formula | C45 H31 N3 O |
| Title of publication | Synergistic effects of hydrogen bonds and the hybridized excited state observed for high-efficiency, deep-blue fluorescent emitters with narrow emission in OLED applications |
| Authors of publication | Qiu, Xu; Xu, Yuwei; Wang, Cong; Hanif, Muddasir; Zhou, Jiadong; Zeng, Cheng; Li, Ya; Jiang, Qinglin; Zhao, Ruiyang; Hu, Dehua; Ma, Yuguang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 18 |
| Pages of publication | 5461 |
| a | 10.6652 ± 0.0003 Å |
| b | 10.8218 ± 0.0004 Å |
| c | 14.7723 ± 0.0006 Å |
| α | 89.128 ± 0.003° |
| β | 76.181 ± 0.003° |
| γ | 73.418 ± 0.003° |
| Cell volume | 1584.2 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.8 K |
| Ambient diffraction temperature | 100 ± 0.8 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7237728.cif |
| 238559 | 2019-11-24 | cif/ Adding structures of 7237728 via cif-deposit CGI script. |
7237728.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.