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Information card for entry 4132122
Preview
| Coordinates | 4132122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H83 F7 N O4 P Pd S |
|---|---|
| Calculated formula | C63 H83 F7 N O4 P Pd S |
| Title of publication | Breaking the Base Barrier: An Electron-Deficient Palladium Catalyst Enables the Use of a Common Soluble Base in C-N Coupling. |
| Authors of publication | Dennis, Joseph M.; White, Nicholas A.; Liu, Richard Y.; Buchwald, Stephen L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 13 |
| Pages of publication | 4721 - 4725 |
| a | 19.4006 ± 0.001 Å |
| b | 25.4448 ± 0.0014 Å |
| c | 25.5338 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12604.6 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1013 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242165 (current) | 2019-11-26 | cif/ Adding structures of 4132122 via cif-deposit CGI script. |
4132122.cif |
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