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Information card for entry 1573846
Preview
| Coordinates | 1573846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H68 Br Cu N4 |
|---|---|
| Calculated formula | C57 H68 Br Cu N4 |
| Title of publication | Multiligand Enabled, Copper-Catalyzed Hiyama Coupling of Arylsilanes with Unactivated Secondary Alkyl Halides: Reaction Development and Mechanistic Insights |
| Authors of publication | Zhou, Jiajing; Zhang, Zhiqiang; Cao, Yan; Xie, Weilong |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 12.3872 ± 0.0019 Å |
| b | 15.6834 ± 0.0019 Å |
| c | 16.433 ± 0.003 Å |
| α | 90.934 ± 0.007° |
| β | 111.881 ± 0.007° |
| γ | 110.488 ± 0.005° |
| Cell volume | 2735.3 ± 0.8 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.083 |
| Residual factor for significantly intense reflections | 0.0713 |
| Weighted residual factors for significantly intense reflections | 0.2151 |
| Weighted residual factors for all reflections included in the refinement | 0.2258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297590 (current) | 2025-02-05 | cif/ Adding structures of 1573846 via cif-deposit CGI script. |
1573846.cif |
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Users of the data should acknowledge the original authors of the
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