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Information card for entry 4122568
Preview
Coordinates | 4122568.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H18 O S |
---|---|
Calculated formula | C21 H18 O S |
SMILES | S([C@H](C(=O)c1ccc(cc1)c1ccccc1)C)c1ccccc1 |
Title of publication | Catalytic, enantioselective sulfenylation of ketone-derived enoxysilanes. |
Authors of publication | Denmark, Scott E.; Rossi, Sergio; Webster, Matthew P.; Wang, Hao |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 37 |
Pages of publication | 13016 - 13028 |
a | 6.3977 ± 0.0018 Å |
b | 8.18 ± 0.002 Å |
c | 31.776 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1662.9 ± 0.8 Å3 |
Cell temperature | 177 ± 2 K |
Ambient diffraction temperature | 177 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0431 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0705 |
Weighted residual factors for all reflections included in the refinement | 0.0753 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4122568.html
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