Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4105148
Preview
Coordinates | 4105148.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H27 O3 P S |
---|---|
Calculated formula | C18 H27 O3 P S |
SMILES | [PH+](c1c(cccc1)S(=O)(=O)[O-])(C1CCCCC1)C1CCCCC1 |
Title of publication | Copolymerization of Vinyl Acetate with Ethylene by Palladium/Alkylphosphine-Sulfonate Catalysts |
Authors of publication | Shingo Ito; Kagehiro Munakata; Akifumi Nakamura; Kyoko Nozaki |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 14606 - 14607 |
a | 10.653 ± 0.009 Å |
b | 12.153 ± 0.009 Å |
c | 13.824 ± 0.012 Å |
α | 90° |
β | 101.614 ± 0.004° |
γ | 90° |
Cell volume | 1753 ± 2 Å3 |
Cell temperature | 103.15 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1114 |
Residual factor for significantly intense reflections | 0.092 |
Weighted residual factors for significantly intense reflections | 0.1848 |
Weighted residual factors for all reflections included in the refinement | 0.195 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
Diffraction radiation wavelength | 0.7107 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/4105148.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.