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Information card for entry 4515515
Preview
Coordinates | 4515515.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H22 F N O4 |
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Calculated formula | C21 H22 F N O4 |
SMILES | Fc1ccc(C[C@@]2(C(=O)N(OC)C)C[C@@H]2c2ccc(cc2)C(=O)OC)cc1.Fc1ccc(C[C@]2(C(=O)N(OC)C)C[C@H]2c2ccc(cc2)C(=O)OC)cc1 |
Title of publication | Ligand-Enabled, Palladium-Catalyzed β-C(sp<sup>3</sup>)-H Arylation of Weinreb Amides. |
Authors of publication | Park, Hojoon; Chekshin, Nikita; Shen, Peng-Xiang; Yu, Jin-Quan |
Journal of publication | ACS catalysis |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 10 |
Pages of publication | 9292 - 9297 |
a | 27.4465 ± 0.0018 Å |
b | 6.4873 ± 0.0004 Å |
c | 22.0138 ± 0.0015 Å |
α | 90° |
β | 112.954 ± 0.002° |
γ | 90° |
Cell volume | 3609.3 ± 0.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0414 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4515515.html
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Users of the data should acknowledge the original authors of the
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