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Information card for entry 7236204
Preview
| Coordinates | 7236204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H22 N2 O2 S2 |
|---|---|
| Calculated formula | C23 H22 N2 O2 S2 |
| Title of publication | Quickly FeCl3-catalyzed highly chemo- and stereo-selective [3 + 2] dipolar cycloaddition of aziridines with isothiocyanates |
| Authors of publication | Gao, Lingfeng; Fu, Kai; Zheng, Gengxiu |
| Journal of publication | RSC Advances |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 53 |
| Pages of publication | 47192 |
| a | 14.6904 ± 0.0008 Å |
| b | 13.1346 ± 0.0006 Å |
| c | 12.3812 ± 0.0006 Å |
| α | 90° |
| β | 114.424 ± 0.007° |
| γ | 90° |
| Cell volume | 2175.2 ± 0.2 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.1591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236204.cif |
| 235262 | 2019-11-23 | cif/ Adding structures of 7236204 via cif-deposit CGI script. |
7236204.cif |
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Users of the data should acknowledge the original authors of the
structural data.