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Information card for entry 4106837
Preview
Coordinates | 4106837.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H12 Cl2 N O3 S |
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Calculated formula | C14 H12 Cl2 N O3 S |
SMILES | S(=O)(=O)(N1O[C@H]1c1c(Cl)cc(Cl)cc1)c1ccc(cc1)C |
Title of publication | Catalytic Enantioselective Oxaziridination |
Authors of publication | Lennart Lykke; Carles Rodríguez-Escrich; Karl Anker Jørgensen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 14932 - 14935 |
a | 10.2241 ± 0.0003 Å |
b | 7.8813 ± 0.0003 Å |
c | 18.7697 ± 0.0006 Å |
α | 90° |
β | 91.532 ± 0.001° |
γ | 90° |
Cell volume | 1511.91 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0555 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.0898 |
Weighted residual factors for all reflections included in the refinement | 0.1044 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4106837.html
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Users of the data should acknowledge the original authors of the
structural data.