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Information card for entry 7128879
Preview
| Coordinates | 7128879.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H44 B2 F4 N4 O2 |
|---|---|
| Calculated formula | C50 H44 B2 F4 N4 O2 |
| Title of publication | FeCl<sub>3</sub>-promoted regioselective synthesis of BODIPY dimers through oxidative aromatic homocoupling reactions. |
| Authors of publication | Kang, Zhengxin; Wu, Qinghua; Guo, Xing; Wang, Long; Ye, Yin; Yu, Changjiang; Wang, Hua; Hao, Erhong; Jiao, Lijuan |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 77 |
| Pages of publication | 9886 - 9889 |
| a | 15.4942 ± 0.0008 Å |
| b | 12.4379 ± 0.0008 Å |
| c | 25.9022 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4991.8 ± 0.5 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1135 |
| Residual factor for significantly intense reflections | 0.0846 |
| Weighted residual factors for significantly intense reflections | 0.2539 |
| Weighted residual factors for all reflections included in the refinement | 0.2974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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