Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4519299
Preview
Coordinates | 4519299.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H48 Cu F6 N4 O10 S2 |
---|---|
Calculated formula | C41 H48 Cu F6 N4 O10 S2 |
Title of publication | A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles |
Authors of publication | Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki |
Journal of publication | ACS Catalysis |
Year of publication | 2022 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 1012 - 1017 |
a | 14.6616 ± 0.0011 Å |
b | 15.7092 ± 0.0013 Å |
c | 19.6198 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4518.9 ± 0.6 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 7 |
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 | 0.0443 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.1084 |
Weighted residual factors for all reflections included in the refinement | 0.1099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71075 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/4519299.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.