Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518671
Preview
| Coordinates | 4518671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H21 N3 Si |
|---|---|
| Calculated formula | C16 H21 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 | 8.5057 ± 0.0004 Å |
| b | 10.2435 ± 0.0006 Å |
| c | 10.405 ± 0.0002 Å |
| α | 95.532 ± 0.003° |
| β | 92.916 ± 0.003° |
| γ | 111.087 ± 0.005° |
| Cell volume | 838.34 ± 0.07 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1927 |
| Weighted residual factors for all reflections included in the refinement | 0.1987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264789 (current) | 2021-05-03 | cif/ Adding structures of 4518671 via cif-deposit CGI script. |
4518671.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.