Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559389
Preview
| Coordinates | 1559389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H22 B F4 N |
|---|---|
| Calculated formula | C31 H22 B F4 N |
| SMILES | [n+]12c(c(c3ccccc3c1c(ccc2)c1ccccc1)c1ccccc1)c1ccccc1.[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 | 8.4537 ± 0.0006 Å |
| b | 11.0248 ± 0.0009 Å |
| c | 13.8145 ± 0.001 Å |
| α | 108.087 ± 0.007° |
| β | 95.552 ± 0.006° |
| γ | 99.64 ± 0.006° |
| Cell volume | 1191.32 ± 0.17 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0491 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| 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. |
1559389.cif |
| 267075 | 2021-07-05 | cif/ Updating files of 1559386, 1559387, 1559388, 1559389, 1559390 Original log message: Adding full bibliography for 1559386--1559390.cif. |
1559389.cif |
| 261579 | 2021-02-05 | cif/ Updating files of 1559386, 1559387, 1559388, 1559389, 1559390 Original log message: Adding full bibliography for 1559386--1559390.cif. |
1559389.cif |
| 258483 | 2020-10-20 | cif/ Adding structures of 1559386, 1559387, 1559388, 1559389, 1559390 via cif-deposit CGI script. |
1559389.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.