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Information card for entry 7159568
Preview
Coordinates | 7159568.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H20 O3 S2 |
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Calculated formula | C22 H20 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 | 10.264 ± 0.003 Å |
b | 8.475 ± 0.002 Å |
c | 22.934 ± 0.006 Å |
α | 90° |
β | 94.71 ± 0.03° |
γ | 90° |
Cell volume | 1988.2 ± 0.9 Å3 |
Cell temperature | 297 K |
Ambient diffraction temperature | 297 K |
Number of distinct elements | 4 |
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 | 0.1266 |
Residual factor for significantly intense reflections | 0.0718 |
Weighted residual factors for significantly intense reflections | 0.136 |
Weighted residual factors for all reflections included in the refinement | 0.1606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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/7159568.html
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Users of the data should acknowledge the original authors of the
structural data.