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Information card for entry 1520292
Preview
Coordinates | 1520292.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H14 Cl N O S |
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Calculated formula | C11 H14 Cl N O S |
SMILES | S(C(C)(C)C)(/N=C/c1ccc(Cl)cc1)=O |
Title of publication | Diastereoselective Allylation ofN-tert-Butanesulfinyl Imines: An Asymmetric Synthesis Experiment for the Undergraduate Organic Laboratory |
Authors of publication | Chen, Xiao-Yang; Sun, Li-Sen; Gao, Xiang; Sun, Xing-Wen |
Journal of publication | Journal of Chemical Education |
Year of publication | 2015 |
Journal volume | 92 |
Journal issue | 4 |
Pages of publication | 714 |
a | 5.615 ± 0.016 Å |
b | 10.35 ± 0.03 Å |
c | 11.29 ± 0.03 Å |
α | 90° |
β | 102.9 ± 0.03° |
γ | 90° |
Cell volume | 640 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0508 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1520292.html
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