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Information card for entry 4134000
Preview
| Coordinates | 4134000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H19 N O |
|---|---|
| Calculated formula | C23 H19 N O |
| Title of publication | Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes. |
| Authors of publication | Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 9.4573 ± 0.0002 Å |
| b | 9.4573 ± 0.0002 Å |
| c | 66.22 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5129.3 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247137 (current) | 2020-01-24 | cif/ Adding structures of 4134000 via cif-deposit CGI script. |
4134000.cif |
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