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Information card for entry 4029227
Preview
Coordinates | 4029227.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H26 F N O2 S |
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Calculated formula | C25 H26 F N O2 S |
SMILES | C=C([C@H](c1ccccc1)[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(cc1)C)F |
Title of publication | Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines. |
Authors of publication | Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 7 |
Pages of publication | 2916 - 2925 |
a | 7.502 ± 0.0009 Å |
b | 24.273 ± 0.003 Å |
c | 12.3458 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2248.1 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0673 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.1263 |
Weighted residual factors for all reflections included in the refinement | 0.1322 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation probe | x-ray |
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/4029227.html
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