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Information card for entry 1550866
Preview
| Coordinates | 1550866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H12 Br N |
|---|---|
| Calculated formula | C18 H12 Br N |
| SMILES | Brc1ccc(cc1)n1c2ccccc2c2ccccc12 |
| Title of publication | Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow |
| Authors of publication | Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 8.5054 ± 0.0006 Å |
| b | 20.5271 ± 0.0017 Å |
| c | 8.664 ± 0.0007 Å |
| α | 90° |
| β | 108.304 ± 0.0017° |
| γ | 90° |
| Cell volume | 1436.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.078 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214571 (current) | 2019-04-10 | cif/ Adding structures of 1550866, 1550867, 1550868 via cif-deposit CGI script. |
1550866.cif |
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Users of the data should acknowledge the original authors of the
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