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Information card for entry 7129350
Preview
| Coordinates | 7129350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H15 B F4 N2 |
|---|---|
| Calculated formula | C25 H15 B F4 N2 |
| SMILES | [B](F)(F)(F)[F-].n12c3ccccc3c3cccc4c5c([n+](c1c34)c1c2cccc1)cccc5 |
| Title of publication | Synthesis of cationic π-extended imidazolium salts by sequential Cu-catalyzed arylation/annulation and photocyclization |
| Authors of publication | Wang, Tianbao; Zheng, Qinze; Wang, Linhua; Huang, Zhenmei; Zhang, Huaxing; Zhang, Yuming; Zhang, Cheng; Gao, Ge |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 8.4814 ± 0.0004 Å |
| b | 14.584 ± 0.0009 Å |
| c | 16.2845 ± 0.001 Å |
| α | 90° |
| β | 103.547 ± 0.002° |
| γ | 90° |
| Cell volume | 1958.23 ± 0.19 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 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 | 0.1228 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.2064 |
| Weighted residual factors for all reflections included in the refinement | 0.2533 |
| 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 |
|---|---|---|---|
| 271250 (current) | 2021-12-08 | cif/ Adding structures of 7129349, 7129350 via cif-deposit CGI script. |
7129350.cif |
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Users of the data should acknowledge the original authors of the
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