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Information card for entry 1559390
Preview
| Coordinates | 1559390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H22 B F4 N |
|---|---|
| Calculated formula | C32 H22 B F4 N |
| SMILES | [n+]12c3c(cc(c2c2ccccc2c(c1c1c3cccc1)c1ccccc1)c1ccccc1)C.[B](F)(F)(F)[F-] |
| 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 | 15.62776 ± 0.00016 Å |
| b | 16.52398 ± 0.00016 Å |
| c | 18.67576 ± 0.00019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4822.69 ± 0.08 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0471 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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 |
|---|---|---|---|
| 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. |
1559390.cif |
| 267075 | 2021-07-05 | cif/ Updating files of 1559386, 1559387, 1559388, 1559389, 1559390 Original log message: Adding full bibliography for 1559386--1559390.cif. |
1559390.cif |
| 261579 | 2021-02-05 | cif/ Updating files of 1559386, 1559387, 1559388, 1559389, 1559390 Original log message: Adding full bibliography for 1559386--1559390.cif. |
1559390.cif |
| 258483 | 2020-10-20 | cif/ Adding structures of 1559386, 1559387, 1559388, 1559389, 1559390 via cif-deposit CGI script. |
1559390.cif |
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