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Information card for entry 4028324
Preview
Coordinates | 4028324.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 N2 O2 S |
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Calculated formula | C20 H26 N2 O2 S |
SMILES | S(=O)(N([C@H](C(=O)Nc1ccccc1)Cc1ccccc1)C)C(C)(C)C |
Title of publication | An Organocatalyst Bearing Stereogenic Carbon and Sulfur Centers as an Efficient Promoter for Enantioselective Hydrosilylation of 1,4-Benzooxazines |
Authors of publication | Xiang-Wei Liu; Chao Wang; Yan Yan; Yong-Qiang Wang; Jian Sun |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 6276 - 6280 |
a | 10.0113 ± 0.0005 Å |
b | 11.3161 ± 0.0006 Å |
c | 17.9297 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2031.24 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 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 | 0.0976 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.1104 |
Weighted residual factors for all reflections included in the refinement | 0.1285 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.7107 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/4028324.html
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Users of the data should acknowledge the original authors of the
structural data.