Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242860
Preview
| Coordinates | 2242860.cif |
|---|---|
| Structure factors | 2242860.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,3-Di-<i>tert</i>-butyl-2-chloro-4,4-diphenyl-1,3,2λ^3^,4-\ diazaphosphasiletidine |
|---|---|
| Formula | C20 H28 Cl N2 P Si |
| Calculated formula | C20 H28 Cl N2 P Si |
| Title of publication | Synthesis and crystal structure of 1,3-di-<i>tert</i>-butyl-2-chloro-4,4-diphenyl-1,3,2λ^3^,4-diazaphosphasiletidine |
| Authors of publication | Mo, Dennis; Frank, Walter |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 3 |
| Pages of publication | 405 - 409 |
| a | 13.4004 ± 0.0007 Å |
| b | 15.6272 ± 0.0006 Å |
| c | 10.3817 ± 0.0005 Å |
| α | 90° |
| β | 95.739 ± 0.004° |
| γ | 90° |
| Cell volume | 2163.14 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0799 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.495 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213916 (current) | 2019-03-01 | cif/ hkl/ Adding structures of 2242860 via cif-deposit CGI script. |
2242860.cif 2242860.hkl |
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.