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Information card for entry 1564898
Preview
| Coordinates | 1564898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H32 F3 Fe N Ni O3 P2 S |
|---|---|
| Calculated formula | C40 H32 F3 Fe N Ni O3 P2 S |
| Title of publication | Inhibition of (dppf)nickel-catalysed Suzuki-Miyaura cross-coupling reactions by α-halo-N-heterocycles |
| Authors of publication | Cooper, Alasdair K.; Greaves, Megan E.; Donohoe, William; Burton, Paul Matthew; Ronson, Thomas Oliver; Kennedy, Alan; Nelson, David James |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 12.7001 ± 0.0002 Å |
| b | 12.7903 ± 0.0002 Å |
| c | 14.1264 ± 0.0002 Å |
| α | 93.421 ± 0.001° |
| β | 114.03 ± 0.001° |
| γ | 116.413 ± 0.002° |
| Cell volume | 1793.83 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269887 (current) | 2021-10-12 | cif/ Adding structures of 1564896, 1564897, 1564898, 1564899 via cif-deposit CGI script. |
1564898.cif |
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