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Information card for entry 1560079
Preview
| Coordinates | 1560079.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H12 F N O |
|---|---|
| Calculated formula | C19 H12 F N O |
| SMILES | Fc1c(C(=O)n2c3c(c4c2cccc4)cccc3)cccc1 |
| 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 | 11.8585 ± 0.0009 Å |
| b | 10.3783 ± 0.0007 Å |
| c | 22.8559 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2812.9 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.23 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 | 0.076 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
1560079.cif |
| 263669 | 2021-04-05 | cif/ Updating files of 1560078, 1560079, 1560080, 1560081 Original log message: Adding full bibliography for 1560078--1560081.cif. |
1560079.cif |
| 260925 | 2021-01-14 | cif/ Adding structures of 1560078, 1560079, 1560080, 1560081 via cif-deposit CGI script. |
1560079.cif |
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Users of the data should acknowledge the original authors of the
structural data.