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Information card for entry 1552871
Preview
| Coordinates | 1552871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H72 N2 P4 |
|---|---|
| Calculated formula | C62 H72 N2 P4 |
| Title of publication | Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations |
| Authors of publication | Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2019 |
| a | 10.1896 ± 0.0002 Å |
| b | 17.4204 ± 0.0004 Å |
| c | 17.4304 ± 0.0004 Å |
| α | 67.712 ± 0.002° |
| β | 73.191 ± 0.002° |
| γ | 73.1212 ± 0.0019° |
| Cell volume | 2682.92 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1552871.cif |
| 227739 | 2019-11-14 | cif/ Adding structures of 1552866, 1552867, 1552868, 1552869, 1552870, 1552871, 1552872, 1552873, 1552874, 1552875 via cif-deposit CGI script. |
1552871.cif |
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Users of the data should acknowledge the original authors of the
structural data.