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Information card for entry 1559387
Preview
| Coordinates | 1559387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H22 B Cl6 F4 N |
|---|---|
| Calculated formula | C33 H22 B Cl6 F4 N |
| SMILES | ClC(Cl)Cl.ClC(Cl)Cl.[B](F)(F)(F)[F-].[n+]12c3c4c(c(c1c1c(c2ccc3c2ccccc2)cccc1)c1ccccc1)cccc4 |
| Title of publication | Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen. |
| Authors of publication | Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 2 |
| Pages of publication | 709 - 717 |
| a | 11.07767 ± 0.0002 Å |
| b | 21.641 ± 0.0004 Å |
| c | 13.7711 ± 0.0003 Å |
| α | 90° |
| β | 101.839 ± 0.0018° |
| γ | 90° |
| Cell volume | 3231.15 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0848 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.183 |
| Weighted residual factors for all reflections included in the refinement | 0.1947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54184 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. |
1559387.cif |
| 267075 | 2021-07-05 | cif/ Updating files of 1559386, 1559387, 1559388, 1559389, 1559390 Original log message: Adding full bibliography for 1559386--1559390.cif. |
1559387.cif |
| 261579 | 2021-02-05 | cif/ Updating files of 1559386, 1559387, 1559388, 1559389, 1559390 Original log message: Adding full bibliography for 1559386--1559390.cif. |
1559387.cif |
| 258483 | 2020-10-20 | cif/ Adding structures of 1559386, 1559387, 1559388, 1559389, 1559390 via cif-deposit CGI script. |
1559387.cif |
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