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Information card for entry 4125201
Preview
Coordinates | 4125201.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H15 F3 |
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Calculated formula | C21 H15 F3 |
SMILES | FC(F)(F)c1cc(ccc1)C12C3C4C1C1C4(C3C21)c1ccccc1 |
Title of publication | Redox-Active Esters in Fe-Catalyzed C-C Coupling. |
Authors of publication | Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 35 |
Pages of publication | 11132 - 11135 |
a | 16.638 ± 0.0007 Å |
b | 5.481 ± 0.0003 Å |
c | 33.4803 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3053.2 ± 0.3 Å3 |
Cell temperature | 125 K |
Ambient diffraction temperature | 125 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0572 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1186 |
Weighted residual factors for all reflections included in the refinement | 0.1244 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4125201.html
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