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Information card for entry 1555122
Preview
| Coordinates | 1555122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H14 N2 O2 S |
|---|---|
| Calculated formula | C11 H14 N2 O2 S |
| SMILES | CC1N(CC(N=1)c1ccccc1)S(=O)(=O)C |
| Title of publication | Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes. |
| Authors of publication | Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 14 |
| Pages of publication | 3632 - 3635 |
| a | 15.2033 ± 0.0005 Å |
| b | 5.10542 ± 0.00013 Å |
| c | 15.6074 ± 0.0006 Å |
| α | 90° |
| β | 108.006 ± 0.004° |
| γ | 90° |
| Cell volume | 1152.1 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0413 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238333 (current) | 2019-11-24 | cif/ Adding structures of 1555122 via cif-deposit CGI script. |
1555122.cif |
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Users of the data should acknowledge the original authors of the
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