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Information card for entry 7236201
Preview
| Coordinates | 7236201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H17 B F4 N2 |
|---|---|
| Calculated formula | C29 H17 B F4 N2 |
| Title of publication | Synthesis, structure and photophysical properties of near-infrared 3,5-diarylbenzoBODIPY fluorophores |
| Authors of publication | Wang, Jun; Wu, Qinghua; Xu, Yajun; Yu, Changjiang; Wei, Yun; Mu, Xiaolong; Hao, Erhong; Jiao, Lijuan |
| Journal of publication | RSC Advances |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 57 |
| Pages of publication | 52180 |
| a | 12.1936 ± 0.0018 Å |
| b | 15.062 ± 0.002 Å |
| c | 12.2515 ± 0.0018 Å |
| α | 90° |
| β | 97.131 ± 0.002° |
| γ | 90° |
| Cell volume | 2232.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235258 (current) | 2019-11-23 | cif/ Adding structures of 7236200, 7236201, 7236202 via cif-deposit CGI script. |
7236201.cif |
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Users of the data should acknowledge the original authors of the
structural data.