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Information card for entry 4087825
Preview
| Coordinates | 4087825.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H72 Br Cl6 O3 P Pd S |
|---|---|
| Calculated formula | C52 H72 Br Cl6 O3 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 | 13.5389 ± 0.0007 Å |
| b | 14.0092 ± 0.0008 Å |
| c | 17.1535 ± 0.0011 Å |
| α | 70.077 ± 0.004° |
| β | 77.005 ± 0.004° |
| γ | 62.377 ± 0.003° |
| Cell volume | 2701.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0701 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.171 |
| Weighted residual factors for all reflections included in the refinement | 0.1784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237033 (current) | 2019-11-24 | cif/ Adding structures of 4087825 via cif-deposit CGI script. |
4087825.cif |
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Users of the data should acknowledge the original authors of the
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