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Information card for entry 7159569
Preview
Coordinates | 7159569.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H19 F O3 S2 |
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Calculated formula | C22 H19 F O3 S2 |
Title of publication | Trace water in a BF<sub>3</sub>·OEt<sub>2</sub> system: a facile access to sulfinyl alkenylsulfones from alkynes and sodium sulfinates. |
Authors of publication | Yu, Shi-Wei; Chen, Zu-Jia; Chen, Zhao-Hua; Chen, Si-Hong; Yang, Kai; Xu, Wen-Jin; Wang, Zhao-Yang |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 38 |
Pages of publication | 7776 - 7781 |
a | 8.4367 ± 0.0009 Å |
b | 10.2011 ± 0.0007 Å |
c | 24.4853 ± 0.0015 Å |
α | 101.895 ± 0.006° |
β | 92.033 ± 0.007° |
γ | 91.343 ± 0.007° |
Cell volume | 2059.7 ± 0.3 Å3 |
Cell temperature | 297 K |
Ambient diffraction temperature | 297 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0999 |
Residual factor for significantly intense reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.114 |
Weighted residual factors for all reflections included in the refinement | 0.133 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/7159569.html
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Users of the data should acknowledge the original authors of the
structural data.