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Information card for entry 4519298
Preview
Coordinates | 4519298.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H40 B2 Cl3 Cu F8 N4 O2 |
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Calculated formula | C40 H40 B2 Cl3 Cu F8 N4 O2 |
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 | 13.07 ± 0.002 Å |
b | 14.339 ± 0.003 Å |
c | 21.988 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4120.8 ± 1.3 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123.15 K |
Number of distinct elements | 8 |
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 | 0.0822 |
Residual factor for significantly intense reflections | 0.0659 |
Weighted residual factors for significantly intense reflections | 0.1912 |
Weighted residual factors for all reflections included in the refinement | 0.2042 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/4519298.html
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