Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4038832
Preview
| Coordinates | 4038832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H54 B F4 N2 O4 P4 Rh |
|---|---|
| Calculated formula | C40 H54 B F4 N2 O4 P4 Rh |
| Title of publication | P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation. |
| Authors of publication | Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 10.8041 ± 0.0006 Å |
| b | 15.3336 ± 0.0008 Å |
| c | 13.3346 ± 0.0007 Å |
| α | 90° |
| β | 102.262 ± 0.0014° |
| γ | 90° |
| Cell volume | 2158.7 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0254 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0682 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256681 (current) | 2020-09-24 | cif/ Adding structures of 4038832 via cif-deposit CGI script. |
4038832.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.