Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108353
Preview
Coordinates | 4108353.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H16 Cu I N2 |
---|---|
Calculated formula | C8 H16 Cu I N2 |
SMILES | C1CC[C@H]2[C@H]3[NH]1[Cu](I)[NH]2CCC3 |
Title of publication | Mechanistic Study of Asymmetric Oxidative Biaryl Coupling: Evidence for Self-Processing of the Copper Catalyst to Achieve Control of Oxidase vs Oxygenase Activity |
Authors of publication | J. Brian Hewgley; Shannon S. Stahl; Marisa C. Kozlowski |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 12232 - 12233 |
a | 8.9975 ± 0.0015 Å |
b | 12.9799 ± 0.0019 Å |
c | 9.8043 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1145 ± 0.3 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 5 |
Space group number | 20 |
Hermann-Mauguin space group symbol | C 2 2 21 |
Hall space group symbol | C 2c 2 |
Residual factor for all reflections | 0.0331 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0765 |
Weighted residual factors for all reflections included in the refinement | 0.0786 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
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/4108353.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.