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Information card for entry 4132276
Preview
| Coordinates | 4132276.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H34 Cl4 F12 Ir2 |
|---|---|
| Calculated formula | C44 H34 Cl4 F12 Ir2 |
| Title of publication | Ir(III)-Catalyzed Carbocarbation of Alkynes through Undirected Double C-H Bond Activation of Anisoles. |
| Authors of publication | Romanov-Michailidis, Fedor; Ravetz, Benjamin D.; Paley, Daniel W.; Rovis, Tomislav |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 16 |
| Pages of publication | 5370 - 5374 |
| a | 13.5428 ± 0.0003 Å |
| b | 18.8283 ± 0.0003 Å |
| c | 18.9337 ± 0.0003 Å |
| α | 91.405 ± 0.001° |
| β | 108.247 ± 0.002° |
| γ | 107.063 ± 0.002° |
| Cell volume | 4347.1 ± 0.16 Å3 |
| Cell temperature | 99.9 ± 0.3 K |
| Ambient diffraction temperature | 99.9 ± 0.3 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242273 (current) | 2019-11-26 | cif/ Adding structures of 4132276 via cif-deposit CGI script. |
4132276.cif |
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