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Information card for entry 4133182
Preview
| Coordinates | 4133182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H56 Br N4 Ni |
|---|---|
| Calculated formula | C46 H56 Br N4 Ni |
| Title of publication | Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions. |
| Authors of publication | Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 42 |
| Pages of publication | 13575 - 13579 |
| a | 15.0781 ± 0.0006 Å |
| b | 19.0103 ± 0.0007 Å |
| c | 29.5991 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8484.3 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.0928 |
| Residual factor for significantly intense reflections | 0.0866 |
| Weighted residual factors for significantly intense reflections | 0.2476 |
| Weighted residual factors for all reflections included in the refinement | 0.2514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243018 (current) | 2019-11-26 | cif/ Adding structures of 4133182 via cif-deposit CGI script. |
4133182.cif |
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Users of the data should acknowledge the original authors of the
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