Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4515715
Preview
| Coordinates | 4515715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H9 Al F15 N |
|---|---|
| Calculated formula | C27 H9 Al F15 N |
| SMILES | [Al]([CH]1=CN(C)c2ccccc12)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair |
| Authors of publication | Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 9 |
| Pages of publication | 8765 |
| a | 7.4782 ± 0.0015 Å |
| b | 17.022 ± 0.004 Å |
| c | 9.979 ± 0.002 Å |
| α | 90° |
| β | 107.975 ± 0.004° |
| γ | 90° |
| Cell volume | 1208.3 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225847 (current) | 2019-11-10 | cif/ Adding structures of 4515715 via cif-deposit CGI script. |
4515715.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.