Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4031896
Preview
Coordinates | 4031896.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H34 O3 P2 |
---|---|
Calculated formula | C23 H32 O3 P2 |
SMILES | P(=O)([C@H]1[C@H]([P@@](=O)(C)C(C)(C)C)CCCC1)(c1ccccc1)c1ccccc1.O |
Title of publication | Stereoselectivity of Michael Addition of P(X)-H-Type Nucleophiles to Cyclohexen-1-ylphosphine Oxide: The Case of Base-Selective Transformation. |
Authors of publication | Jaklińska, Magdalena; Cordier, Marie; Stankevič, Marek |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 4 |
Pages of publication | 1378 - 1390 |
a | 10.2313 ± 0.0003 Å |
b | 14.6185 ± 0.0006 Å |
c | 15.0517 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2251.23 ± 0.14 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0534 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1096 |
Weighted residual factors for all reflections included in the refinement | 0.1154 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4031896.html
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.