Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4038831
Preview
| Coordinates | 4038831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H27 N O2 P2 |
|---|---|
| Calculated formula | C20 H27 N O2 P2 |
| 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 | 9.856 ± 0.0002 Å |
| b | 11.5291 ± 0.0002 Å |
| c | 17.2583 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1961.07 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256680 (current) | 2020-09-24 | cif/ Adding structures of 4038831 via cif-deposit CGI script. |
4038831.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.