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Information card for entry 4033317
Preview
Coordinates | 4033317.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H16 Cl I O S |
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Calculated formula | C16 H16 Cl I O S |
SMILES | Ic1c(c2c(S(=O)C(C)(C)C)cccc2Cl)cccc1 |
Title of publication | Asymmetric α-Sulfonyl- and α-Phosphoryl-Oxylation of Ketones by a Chiral Hypervalent Iodine(III). |
Authors of publication | Levitre, Guillaume; Dumoulin, Audrey; Retailleau, Pascal; Panossian, Armen; Leroux, Frédéric R; Masson, Géraldine |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 22 |
Pages of publication | 11877 - 11883 |
a | 7.6895 ± 0.0004 Å |
b | 12.8374 ± 0.0005 Å |
c | 17.1516 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1693.09 ± 0.12 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 | 0.0337 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.0549 |
Weighted residual factors for all reflections included in the refinement | 0.0571 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/4033317.html
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