Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108150
Preview
Coordinates | 4108150.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 9-exo |
---|---|
Formula | C24 H27 Co O7 S Si |
Calculated formula | C24 H27 Co O7 S Si |
SMILES | C1(=C([C@H]2[C@H]3[C@H](C(=O)OC3=O)[Co]34561([cH]1[cH]6[cH]5[cH]4[cH]31)[O]=C2OCC)[Si](C)(C)C)S(=O)(=O)c1ccccc1.C1(=C([C@@H]2[C@@H]3[C@@H](C(=O)OC3=O)[Co]34561([cH]1[cH]6[cH]5[cH]4[cH]31)[O]=C2OCC)[Si](C)(C)C)S(=O)(=O)c1ccccc1 |
Title of publication | Reactions of a Metallacyclobutene Complex with Alkenes |
Authors of publication | Holland, Ryan L.; Bunker, Kevin D.; Chen, Christopher H.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Baldridge, Kim K.; O'Connor, Joseph M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Journal issue | 31 |
Pages of publication | 10093 - 10095 |
a | 11.309 ± 0.002 Å |
b | 11.898 ± 0.004 Å |
c | 17.955 ± 0.005 Å |
α | 90 ± 0.004° |
β | 91.096 ± 0.004° |
γ | 90 ± 0.004° |
Cell volume | 2415.5 ± 1.1 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0305 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.0736 |
Weighted residual factors for all reflections included in the refinement | 0.0758 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 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/4108150.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.