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Information card for entry 4135478
Preview
| Coordinates | 4135478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H55 Cl2 F12 N4 O8 P3 Ru S4 |
|---|---|
| Calculated formula | C29 H55 Cl2 F12 N4 O8 P3 Ru S4 |
| 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 | 10.5702 ± 0.0002 Å |
| b | 18.7348 ± 0.0004 Å |
| c | 24.3472 ± 0.0005 Å |
| α | 90° |
| β | 92.934 ± 0.002° |
| γ | 90° |
| Cell volume | 4815.17 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4135478.cif |
| 260319 | 2021-01-01 | cif/ Adding structures of 4135478 via cif-deposit CGI script. |
4135478.cif |
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Users of the data should acknowledge the original authors of the
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