Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085731
Preview
| Coordinates | 4085731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H42 N O4 P Si |
|---|---|
| Calculated formula | C33 H42 N O4 P Si |
| SMILES | P(=Nc1c(cccc1C(C)C)C(C)C)(/C(=C(\[Si](C)(C)C)C(=O)OC)C(=O)OC)(c1ccccc1)c1ccccc1 |
| Title of publication | Fine Tuning of the Substituents on the N-Geminal Phosphorus/Silicon-Based Lewis Pairs for the Synthesis ofZ-Type Silyliminophosphoranylalkenes |
| Authors of publication | Li, Jiancheng; Li, Yan; Purushothaman, Indu; De, Susmita; Li, Bin; Zhu, Hongping; Parameswaran, Pattiyil; Ye, Qingsong; Liu, Weiping |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 17 |
| Pages of publication | 4209 |
| a | 10.5684 ± 0.0006 Å |
| b | 10.7627 ± 0.0006 Å |
| c | 15.5029 ± 0.001 Å |
| α | 81.274 ± 0.005° |
| β | 85.745 ± 0.005° |
| γ | 68.583 ± 0.005° |
| Cell volume | 1622.26 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0595 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4085731.cif |
| 160559 | 2015-10-06 | cif/ Updating files of 4085726, 4085727, 4085728, 4085729, 4085730, 4085731, 4085732 Original log message: Adding full bibliography for 4085726--4085732.cif. |
4085731.cif |
| 136342 | 2015-05-13 | cif/ Adding structures of 4085726, 4085727, 4085728, 4085729, 4085730, 4085731, 4085732 via cif-deposit CGI script. |
4085731.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.