Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1560081
Preview
| Coordinates | 1560081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H12 F N O |
|---|---|
| Calculated formula | C19 H12 F N O |
| SMILES | Fc1ccc(C(=O)n2c3c(c4c2cccc4)cccc3)cc1 |
| Title of publication | Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime |
| Authors of publication | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 3580 - 3586 |
| a | 8.9406 ± 0.0017 Å |
| b | 22.597 ± 0.004 Å |
| c | 7.0302 ± 0.0012 Å |
| α | 90° |
| β | 91.313 ± 0.005° |
| γ | 90° |
| Cell volume | 1419.9 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 297.79 K |
| Number of distinct elements | 5 |
| 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 | 0.0879 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.139 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560081.cif |
| 263669 | 2021-04-05 | cif/ Updating files of 1560078, 1560079, 1560080, 1560081 Original log message: Adding full bibliography for 1560078--1560081.cif. |
1560081.cif |
| 260925 | 2021-01-14 | cif/ Adding structures of 1560078, 1560079, 1560080, 1560081 via cif-deposit CGI script. |
1560081.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.