Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4519381
Preview
| Coordinates | 4519381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H22 O |
|---|---|
| Calculated formula | C23 H22 O |
| Title of publication | Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers |
| Authors of publication | Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 6 |
| Pages of publication | 3651 - 3659 |
| a | 6.1078 ± 0.0007 Å |
| b | 23.368 ± 0.003 Å |
| c | 12.0794 ± 0.0013 Å |
| α | 90° |
| β | 100.277 ± 0.002° |
| γ | 90° |
| Cell volume | 1696.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.1485 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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.