Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514293
Preview
| Coordinates | 4514293.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H48 N4 Zn |
|---|---|
| Calculated formula | C46 H48 N4 Zn |
| Title of publication | Zinc-Catalyzed Hydrosilylation and Hydroboration of N-Heterocycles |
| Authors of publication | Lortie, John L.; Dudding, Travis; Gabidullin, Bulat M.; Nikonov, Georgii I. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 8454 |
| a | 12.1191 ± 0.0018 Å |
| b | 13.987 ± 0.002 Å |
| c | 14.338 ± 0.002 Å |
| α | 66.838 ± 0.002° |
| β | 73.267 ± 0.002° |
| γ | 64.731 ± 0.002° |
| Cell volume | 1999.6 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.0751 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.124 |
| Weighted residual factors for all reflections included in the refinement | 0.1462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514293.cif |
| 203979 | 2017-12-05 | cif/ Updating files of 4514293 Original log message: Adding full bibliography for 4514293.cif. |
4514293.cif |
| 203179 | 2017-11-15 | cif/ Adding structures of 4514293 via cif-deposit CGI script. |
4514293.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.