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Information card for entry 4133009
Preview
| Coordinates | 4133009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H86 B22 Cl22 N2 |
|---|---|
| Calculated formula | C79 H86 B22 Cl22 N2 |
| Title of publication | Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation. |
| Authors of publication | Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 42 |
| Pages of publication | 13798 - 13807 |
| a | 14.629 ± 0.0005 Å |
| b | 14.9866 ± 0.0005 Å |
| c | 22.4078 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4912.7 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.16 |
| Weighted residual factors for all reflections included in the refinement | 0.1712 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242862 (current) | 2019-11-26 | cif/ Adding structures of 4133009 via cif-deposit CGI script. |
4133009.cif |
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Users of the data should acknowledge the original authors of the
structural data.