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Information card for entry 4132453
Preview
| Coordinates | 4132453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | JYW-1-177 |
|---|---|
| Chemical name | hartwig126 |
| Formula | C29 H54 P2 Pd |
| Calculated formula | C29 H54 P2 Pd |
| Title of publication | Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia. |
| Authors of publication | Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 25 |
| Pages of publication | 7979 - 7993 |
| a | 9.5521 ± 0.0003 Å |
| b | 9.1531 ± 0.0003 Å |
| c | 16.1386 ± 0.0005 Å |
| α | 90° |
| β | 91.007 ± 0.001° |
| γ | 90° |
| Cell volume | 1410.8 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0563 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.365 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242435 (current) | 2019-11-26 | cif/ Adding structures of 4132453 via cif-deposit CGI script. |
4132453.cif |
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