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Information card for entry 4134722
Preview
| Coordinates | 4134722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H34 N2 O6 Pd2 |
|---|---|
| Calculated formula | C26 H34 N2 O6 Pd2 |
| 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 | 8.9433 ± 0.0003 Å |
| b | 34.4853 ± 0.0009 Å |
| c | 9.5969 ± 0.0003 Å |
| α | 90° |
| β | 113.354 ± 0.004° |
| γ | 90° |
| Cell volume | 2717.32 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0291 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0505 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250796 (current) | 2020-04-16 | cif/ Adding structures of 4134722 via cif-deposit CGI script. |
4134722.cif |
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