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Information card for entry 7238777
Preview
| Coordinates | 7238777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | D469 |
|---|---|
| Formula | C18 H19 N3 S |
| Calculated formula | C18 H19 N3 S |
| Title of publication | Thermal fragmentation of spirodithiohydantoins: A novel route to NHCs |
| Authors of publication | Jishkariani, Davit; Hall, C. Dennis; Oliferenko, Alexander; Tomlin, Blake J.; Steel, Peter J.; Katritzky, Alan R. |
| Journal of publication | RSC Adv. |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | 1669 |
| a | 5.86514 ± 0.00013 Å |
| b | 14.6361 ± 0.0003 Å |
| c | 18.7566 ± 0.0003 Å |
| α | 90° |
| β | 94.0394 ± 0.0018° |
| γ | 90° |
| Cell volume | 1606.12 ± 0.05 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 4 |
| 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244345 (current) | 2019-11-28 | cif/ Adding structures of 7238777 via cif-deposit CGI script. |
7238777.cif |
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Users of the data should acknowledge the original authors of the
structural data.