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Information card for entry 4134971
Preview
Coordinates | 4134971.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H12 Br F9 O2 S |
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Calculated formula | C14 H12 Br F9 O2 S |
Title of publication | Enantioselective Three-Component Fluoroalkylarylation of Unactivated Olefins through Nickel-Catalyzed Cross-Electrophile Coupling. |
Authors of publication | Tu, Hai-Yong; Wang, Fang; Huo, Liping; Li, Yuanbo; Zhu, Shengqing; Zhao, Xian; Li, Huan; Qing, Feng-Ling; Chu, Lingling |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
Journal volume | 142 |
Journal issue | 21 |
Pages of publication | 9604 - 9611 |
a | 5.7339 ± 0.0006 Å |
b | 46.854 ± 0.005 Å |
c | 6.9754 ± 0.0007 Å |
α | 90° |
β | 96.287 ± 0.006° |
γ | 90° |
Cell volume | 1862.7 ± 0.3 Å3 |
Cell temperature | 298.08 K |
Ambient diffraction temperature | 298.08 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0857 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1517 |
Weighted residual factors for all reflections included in the refinement | 0.1694 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4134971.html
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structural data.