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Information card for entry 4121852
Preview
Coordinates | 4121852.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H20 F4 N2 O2 |
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Calculated formula | C26 H20 F4 N2 O2 |
SMILES | Fc1c(NC(=O)[C@@]2(CC[C@@H]2c2ccccc2)COCc2ccccc2)c(F)c(F)c(c1F)C#N |
Title of publication | Palladium(II)-Catalyzed Enantioselective C(sp(3))-H Activation Using a Chiral Hydroxamic Acid Ligand. |
Authors of publication | Xiao, Kai-Jiong; Lin, David W.; Miura, Motofumi; Zhu, Ru-Yi; Gong, Wei; Wasa, Masayuki; Yu, Jin-Quan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 22 |
Pages of publication | 8138 |
a | 8.5521 ± 0.0002 Å |
b | 8.5649 ± 0.0003 Å |
c | 15.8893 ± 0.0005 Å |
α | 90° |
β | 103.684 ± 0.0014° |
γ | 90° |
Cell volume | 1130.82 ± 0.06 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0265 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0637 |
Weighted residual factors for all reflections included in the refinement | 0.0645 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/4121852.html
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