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Information card for entry 4518670
Preview
| Coordinates | 4518670.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H27 N3 Si |
|---|---|
| Calculated formula | C19 H27 N3 Si |
| Title of publication | Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes |
| Authors of publication | Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 5463 - 5471 |
| a | 8.4772 ± 0.0003 Å |
| b | 23.1025 ± 0.0008 Å |
| c | 9.866 ± 0.0003 Å |
| α | 90° |
| β | 109.061 ± 0.004° |
| γ | 90° |
| Cell volume | 1826.26 ± 0.11 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.097 |
| Residual factor for significantly intense reflections | 0.0822 |
| Weighted residual factors for significantly intense reflections | 0.2248 |
| Weighted residual factors for all reflections included in the refinement | 0.2675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264788 (current) | 2021-05-03 | cif/ Adding structures of 4518670 via cif-deposit CGI script. |
4518670.cif |
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Users of the data should acknowledge the original authors of the
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