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Information card for entry 1543193
Preview
| Coordinates | 1543193.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | p-P4Ac |
|---|---|
| Formula | C28 H22 O |
| Calculated formula | C28 H22 O |
| SMILES | O=C(c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)C |
| Title of publication | Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design |
| Authors of publication | Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 8 |
| Pages of publication | 5307 |
| a | 9.075 Å |
| b | 11.785 Å |
| c | 19.801 Å |
| α | 81.99° |
| β | 81.95° |
| γ | 89.78° |
| Cell volume | 2076.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0515 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1206 |
| Weighted residual factors for all reflections included in the refinement | 0.1268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543193.cif |
| 185156 | 2016-08-07 | cif/ Updating files of 1543189, 1543190, 1543191, 1543192, 1543193 Original log message: Adding full bibliography for 1543189--1543193.cif. |
1543193.cif |
| 182324 | 2016-04-28 | cif/ Adding structures of 1543189, 1543190, 1543191, 1543192, 1543193 via cif-deposit CGI script. |
1543193.cif |
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Users of the data should acknowledge the original authors of the
structural data.