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Information card for entry 1553060
Preview
Coordinates | 1553060.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H17 N O4 S |
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Calculated formula | C12 H17 N O4 S |
SMILES | [C@@H]12C(=NS(=O)(=O)O2)[C@@H]2CCCC[C@H]2[C@@H]([C@H]1C)C=O |
Title of publication | 4-Alkenyl-5H-1,2,3-oxathiazole 2,2-dioxides in catalytic and enantioselective [4 + 2] cycloaddition through iminium activation. Straightforward access to the trans-decaline framework and to densely functionalized cyclohexanes |
Authors of publication | Riaño, Iker; Uria, Uxue; Carrillo, Luisa; Reyes, Efraim; Vicario, Jose L. |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 3 |
Pages of publication | 206 |
a | 8.7741 ± 0.0001 Å |
b | 9.7409 ± 0.0001 Å |
c | 14.5365 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1242.4 ± 0.02 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0208 |
Residual factor for significantly intense reflections | 0.0205 |
Weighted residual factors for significantly intense reflections | 0.0551 |
Weighted residual factors for all reflections included in the refinement | 0.0553 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1553060.html
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