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Information card for entry 7151689
Preview
Coordinates | 7151689.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H20 F5 N O2 S |
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Calculated formula | C21 H20 F5 N O2 S |
SMILES | S(N1[C@@H](OCC)C[C@H](C=C1C(F)(F)F)c1ccccc1)(=O)C(F)(F)c1ccccc1 |
Title of publication | Per(poly)fluoroalkanesulfinamides assisted diastereoselective three-component inverse-electron-demand aza Diels-Alder reaction. |
Authors of publication | Li, Peng; Liu, Li-Juan; Liu, Jin-Tao |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2011 |
Journal volume | 9 |
Journal issue | 1 |
Pages of publication | 74 - 77 |
a | 9.7065 ± 0.0007 Å |
b | 9.7065 ± 0.0007 Å |
c | 45.227 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4261.1 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.1385 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.058 |
Weighted residual factors for all reflections included in the refinement | 0.0781 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
Diffraction radiation wavelength | 0.71073 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/7151689.html
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Users of the data should acknowledge the original authors of the
structural data.