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Information card for entry 7158471
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Coordinates | 7158471.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H15 N O3 S |
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Calculated formula | C14 H15 N O3 S |
Title of publication | Rhodium(III)-catalyzed cascade C-H functionalization/annulation of sulfoximines with iodonium ylides for the synthesis of cyclohexanone-1,2-benzothiazines. |
Authors of publication | Chen, Lu; Wang, Zhichao; Wang, Yangyang; Hao, Liqiang; Xu, Xiaobo; Wu, Gaorong; Ji, Yafei |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
Journal volume | 20 |
Journal issue | 4 |
Pages of publication | 887 - 894 |
a | 10.3951 ± 0.0005 Å |
b | 8.7516 ± 0.0004 Å |
c | 14.2044 ± 0.0006 Å |
α | 90° |
β | 95.671 ± 0.001° |
γ | 90° |
Cell volume | 1285.9 ± 0.1 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0365 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0879 |
Weighted residual factors for all reflections included in the refinement | 0.09 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7158471.html
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