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Information card for entry 4519100
Preview
| Coordinates | 4519100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H34 Ge |
|---|---|
| Calculated formula | C31 H34 Ge |
| SMILES | [Ge](c1ccccc1)(c1ccccc1)(c1ccccc1)C(=C)CC12CC3CC(C1)CC(C2)C3 |
| Title of publication | Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes |
| Authors of publication | Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 20 |
| Pages of publication | 12777 - 12784 |
| a | 23.3649 ± 0.0007 Å |
| b | 11.1865 ± 0.0003 Å |
| c | 19.019 ± 0.0005 Å |
| α | 90° |
| β | 95.1336 ± 0.0011° |
| γ | 90° |
| Cell volume | 4951.1 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0268 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0621 |
| Weighted residual factors for all reflections included in the refinement | 0.0638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270240 (current) | 2021-11-03 | cif/ Adding structures of 4519100 via cif-deposit CGI script. |
4519100.cif |
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Users of the data should acknowledge the original authors of the
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