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Information card for entry 4087826
Preview
| Coordinates | 4087826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H64 Br O2 P Pd S |
|---|---|
| Calculated formula | C47 H64 Br O2 P Pd S |
| Title of publication | In-Depth Assessment of the Palladium-Catalyzed Fluorination of Five-Membered Heteroaryl Bromides. |
| Authors of publication | Milner, Phillip J.; Yang, Yang; Buchwald, Stephen L. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 19 |
| Pages of publication | 4775 - 4780 |
| a | 11.461 ± 0.0003 Å |
| b | 13.5662 ± 0.0003 Å |
| c | 15.6083 ± 0.0004 Å |
| α | 66.5161 ± 0.0012° |
| β | 89.9625 ± 0.0013° |
| γ | 74.4572 ± 0.0012° |
| Cell volume | 2128.89 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0288 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections included in the refinement | 0.0608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237034 (current) | 2019-11-24 | cif/ Adding structures of 4087826 via cif-deposit CGI script. |
4087826.cif |
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