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Information card for entry 7110144
Preview
Coordinates | 7110144.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H21 N O3 S |
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Calculated formula | C18 H21 N O3 S |
SMILES | S(=O)(=O)(N1[C@@H](OC[C@@H]1C)Cc1ccccc1)c1ccc(cc1)C |
Title of publication | Stereoselective geminal difunctionalization of vinyl arenes mediated by the bromonium ion |
Authors of publication | Pandur Venkatesan Balaji; Srinivasan Chandrasekaran |
Journal of publication | Chem.Commun. |
Year of publication | 2013 |
Journal volume | 50 |
Pages of publication | 70 |
a | 7.4739 ± 0.0008 Å |
b | 9.911 ± 0.001 Å |
c | 11.815 ± 0.0012 Å |
α | 90° |
β | 102.072 ± 0.002° |
γ | 90° |
Cell volume | 855.83 ± 0.15 Å3 |
Cell temperature | 295 ± 1 K |
Ambient diffraction temperature | 295 ± 1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.046 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0928 |
Weighted residual factors for all reflections included in the refinement | 0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
Diffraction radiation probe | x-ray |
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/7110144.html
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Users of the data should acknowledge the original authors of the
structural data.