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Information card for entry 7157229
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Coordinates | 7157229.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H16 O3 S |
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Calculated formula | C22 H16 O3 S |
Title of publication | Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones. |
Authors of publication | Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 44 |
Pages of publication | 9585 - 9604 |
a | 8.8058 ± 0.0009 Å |
b | 20.394 ± 0.002 Å |
c | 9.6437 ± 0.001 Å |
α | 90° |
β | 99.794 ± 0.004° |
γ | 90° |
Cell volume | 1706.6 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1122 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.1245 |
Weighted residual factors for all reflections included in the refinement | 0.1417 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0557 |
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/7157229.html
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Users of the data should acknowledge the original authors of the
structural data.