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Information card for entry 1555754
Preview
Coordinates | 1555754.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H17 I N2 O3 S |
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Calculated formula | C15 H17 I N2 O3 S |
SMILES | CCCOc1ccccc1[I]=NS(=O)(=O)c1ncc(cc1)C |
Title of publication | Functionalization of Alkenes through Telescoped Continuous Flow Aziridination Processes. |
Authors of publication | Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 19 |
Pages of publication | 4908 - 4911 |
a | 8.9249 ± 0.00006 Å |
b | 12.0771 ± 0.00008 Å |
c | 15.5355 ± 0.00013 Å |
α | 90° |
β | 98.2881 ± 0.0007° |
γ | 90° |
Cell volume | 1657.03 ± 0.02 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0304 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0813 |
Weighted residual factors for all reflections included in the refinement | 0.0816 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1555754.html
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Users of the data should acknowledge the original authors of the
structural data.