Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518763
Preview
| Coordinates | 4518763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H42 B Mn N2 P4 |
|---|---|
| Calculated formula | C22 H42 B Mn N2 P4 |
| Title of publication | Manganese-Catalyzed C(sp2)‒H Borylation of Furan and Thiophene Derivatives |
| Authors of publication | Britton, Luke; Skrodzki, Maciej; Nichol, Gary S.; Dominey, Andrew P.; Pawluć, Piotr; Docherty, Jamie H.; Thomas, Stephen P. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 6857 - 6864 |
| a | 10.4506 ± 0.0003 Å |
| b | 11.3275 ± 0.0003 Å |
| c | 13.0799 ± 0.0004 Å |
| α | 67.787 ± 0.002° |
| β | 86.307 ± 0.002° |
| γ | 71.524 ± 0.002° |
| Cell volume | 1356.88 ± 0.07 Å3 |
| Cell temperature | 250 ± 0.1 K |
| Ambient diffraction temperature | 250 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0655 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.1549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265723 (current) | 2021-06-03 | cif/ Adding structures of 4518763 via cif-deposit CGI script. |
4518763.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.