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Information card for entry 4134721
Preview
| Coordinates | 4134721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H28 N2 O2 Pd |
|---|---|
| Calculated formula | C22 H28 N2 O2 Pd |
| Title of publication | Palladium-catalyzed oxidation of β-C(sp3)-H bond of primary alkylamines through a rare four-membered palladacycle intermediate. |
| Authors of publication | Su, Bo; Bunescu, Ala; Qiu, Yehao; Zuend, Stephan J.; Ernst, Martin; Hartwig, John F. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 19.1646 ± 0.0004 Å |
| b | 7.6938 ± 0.0001 Å |
| c | 14.4178 ± 0.0003 Å |
| α | 90° |
| β | 108.664 ± 0.002° |
| γ | 90° |
| Cell volume | 2014.09 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0181 |
| Residual factor for significantly intense reflections | 0.017 |
| Weighted residual factors for significantly intense reflections | 0.0436 |
| Weighted residual factors for all reflections included in the refinement | 0.0442 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250795 (current) | 2020-04-16 | cif/ Adding structures of 4134721 via cif-deposit CGI script. |
4134721.cif |
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Users of the data should acknowledge the original authors of the
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