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Information card for entry 4514408
Preview
| Coordinates | 4514408.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H74.56 Ag O4.78 P2 |
|---|---|
| Calculated formula | C62 H74.56 Ag O4.78 P2 |
| Title of publication | Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines |
| Authors of publication | Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 6 |
| Pages of publication | 5268 |
| a | 11.7485 ± 0.0003 Å |
| b | 26.0007 ± 0.0009 Å |
| c | 18.5841 ± 0.0006 Å |
| α | 90° |
| β | 106.036 ± 0.003° |
| γ | 90° |
| Cell volume | 5456 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0813 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1157 |
| Weighted residual factors for all reflections included in the refinement | 0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223175 (current) | 2019-11-04 | cif/ Updating files of 4514406, 4514407, 4514408 Original log message: Adding full bibliography for 4514406--4514408.cif. |
4514408.cif |
| 215059 | 2019-05-13 | cif/ Adding structures of 4514408 via cif-deposit CGI script. |
4514408.cif |
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Users of the data should acknowledge the original authors of the
structural data.