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Information card for entry 7248291
Preview
| Coordinates | 7248291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,2,4,5-Tetracyanobenzene-2-Bromofluorene |
|---|---|
| Formula | C23 H11 Br N4 |
| Calculated formula | C23 H11 Br N4 |
| Title of publication | Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives |
| Authors of publication | Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 16 |
| Pages of publication | 2155 - 2165 |
| a | 7.455 ± 0.003 Å |
| b | 7.934 ± 0.003 Å |
| c | 8.27 ± 0.003 Å |
| α | 85.443 ± 0.012° |
| β | 76.787 ± 0.011° |
| γ | 74.123 ± 0.011° |
| Cell volume | 458 ± 0.3 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1273 |
| Residual factor for significantly intense reflections | 0.0927 |
| Weighted residual factors for significantly intense reflections | 0.1887 |
| Weighted residual factors for all reflections included in the refinement | 0.2044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291596 (current) | 2024-05-05 | cif/ Updating files of 7248291, 7248292, 7248293, 7248294 Original log message: Adding full bibliography for 7248291--7248294.cif. |
7248291.cif |
| 290435 | 2024-03-12 | cif/ Adding structures of 7248291, 7248292, 7248293, 7248294 via cif-deposit CGI script. |
7248291.cif |
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Users of the data should acknowledge the original authors of the
structural data.