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Information card for entry 1562552
Preview
| Coordinates | 1562552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H52 N2 Zn |
|---|---|
| Calculated formula | C33 H52 N2 Zn |
| Title of publication | Zinc catalysed electrophilic C-H borylation of heteroarenes |
| Authors of publication | Grundy, Matthew; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 15.9444 ± 0.0003 Å |
| b | 19.642 ± 0.0003 Å |
| c | 19.6889 ± 0.0003 Å |
| α | 90° |
| β | 90.009 ± 0.001° |
| γ | 90° |
| Cell volume | 6166.17 ± 0.18 Å3 |
| Cell temperature | 120 ± 0.5 K |
| Ambient diffraction temperature | 120 ± 0.5 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0647 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265202 (current) | 2021-05-14 | cif/ Adding structures of 1562552, 1562553, 1562554 via cif-deposit CGI script. |
1562552.cif |
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Users of the data should acknowledge the original authors of the
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