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Information card for entry 4135477
Preview
| Coordinates | 4135477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H54 F6 N3.8 O4 P3 Ru S2 |
|---|---|
| Calculated formula | C26 H54 F6 N3.8 O4 P3 Ru S2 |
| Title of publication | Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction. |
| Authors of publication | Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 10.2586 ± 0.0002 Å |
| b | 11.4779 ± 0.0002 Å |
| c | 16.7535 ± 0.0002 Å |
| α | 79.687 ± 0.001° |
| β | 82.79 ± 0.001° |
| γ | 78.383 ± 0.001° |
| Cell volume | 1892.84 ± 0.06 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 | 0.0392 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260318 (current) | 2021-01-01 | cif/ Adding structures of 4135477 via cif-deposit CGI script. |
4135477.cif |
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Users of the data should acknowledge the original authors of the
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