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Information card for entry 7235181
Preview
| Coordinates | 7235181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C47 H31 B F N3 |
|---|---|
| Calculated formula | C47 H31 B F N3 |
| SMILES | [B]1([n]2c(c3c1cc(cc3)F)cccc2)(c1ccc(n2c3ccccc3c3ccccc23)cc1)c1ccc(n2c3ccccc3c3ccccc23)cc1 |
| Title of publication | Efficient thermally activated delayed fluorescence of functional phenylpyridinato boron complexes and high performance organic light-emitting diodes |
| Authors of publication | Yi-Jiun Shiu; Yi-Ting Chen; Wei-Kai Lee; Chung-Chih Wu; Tzu-Chieh Lin; Shih-Hung Liu; Pi-Tai Chou; Chin-Wei Lu; I-Chen Cheng; Yi-Jyun Lien; Yun Chi |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Pages of publication | 1452 - 1462 |
| a | 22.298 ± 0.0009 Å |
| b | 12.8948 ± 0.0005 Å |
| c | 16.2166 ± 0.0006 Å |
| α | 90° |
| β | 131.727 ± 0.0013° |
| γ | 90° |
| Cell volume | 3479.9 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.135 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54178 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. |
7235181.cif |
| 231034 | 2019-11-19 | cif/ Adding structures of 7235181, 7235182 via cif-deposit CGI script. |
7235181.cif |
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Users of the data should acknowledge the original authors of the
structural data.