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Information card for entry 1512077
Preview
Coordinates | 1512077.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 13045b |
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Formula | C22 H24 N2 O3 S |
Calculated formula | C22 H24 N2 O3 S |
SMILES | S(=O)(N[C@@H](c1ccccc1)C#CN1C(=O)OC[C@H]1c1ccccc1)C(C)(C)C |
Title of publication | A Highly Stereoselective Addition of Lithiated Ynamides to Ellman‒Davis ChiralN-tert-Butanesulfinyl Imines |
Authors of publication | Wang, Xiao-Na; Hsung, Richard P.; Qi, Rui; Fox, Sierra K.; Lv, Ming-Can |
Journal of publication | Organic Letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 10 |
Pages of publication | 2514 |
a | 6.1458 ± 0.0008 Å |
b | 16.246 ± 0.002 Å |
c | 20.503 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2047.1 ± 0.5 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 | 0.0516 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/1512077.html
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