Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4037825
Preview
| Coordinates | 4037825.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H25 Cl N3 Rh |
|---|---|
| Calculated formula | C22 H25 Cl N3 Rh |
| SMILES | [Rh]12345(Cl)([n]6c(N7c8c1cccc8CC7)nccc6)[c]1([c]4([c]3([c]2([c]51C)C)C)C)C |
| Title of publication | Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles. |
| Authors of publication | Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.314 ± 0.002 Å |
| b | 10.671 ± 0.003 Å |
| c | 11.777 ± 0.003 Å |
| α | 94.821 ± 0.006° |
| β | 91.645 ± 0.006° |
| γ | 106.762 ± 0.005° |
| Cell volume | 995.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0423 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246981 (current) | 2020-01-18 | cif/ Adding structures of 4037825 via cif-deposit CGI script. |
4037825.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.