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Information card for entry 4030047
Preview
Coordinates | 4030047.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H23 N O3 S |
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Calculated formula | C23 H23 N O3 S |
SMILES | S(=O)(=O)(N1C[C@@H]([C@](O)(c2ccccc2)C1)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1C[C@H]([C@@](O)(c2ccccc2)C1)c1ccccc1)c1ccc(cc1)C |
Title of publication | Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles. |
Authors of publication | Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 21 |
Pages of publication | 10226 |
a | 7.0302 ± 0.0008 Å |
b | 13.7455 ± 0.0015 Å |
c | 20.332 ± 0.002 Å |
α | 90° |
β | 99.113 ± 0.005° |
γ | 90° |
Cell volume | 1940 ± 0.4 Å3 |
Cell temperature | 165 K |
Ambient diffraction temperature | 165 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 | 0.0483 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.1236 |
Weighted residual factors for all reflections included in the refinement | 0.1269 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.54178 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/4030047.html
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