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CIF Information Card
Information card for 7151791
7151790 << 7151791 >> 7151792Preview
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Coordinates |
7151791.cif |
Structure parameters
| Common name | N-hydroxy-O-benzenedisulfonimide monohydrate |
| Chemical name | N-hydroxy-O-benzenedisulfonimide monohydrate |
| Formula | - C6 H7 N O6 S2 - |
| Calculated formula | - C6 H7 N O6 S2 - |
| Title of publication | In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine. |
| Authors of publication | Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 2336 - 2344 |
| a | 7.2877 ± 0.0003 Å |
| b | 8.168 ± 0.0003 Å |
| c | 8.3571 ± 0.0002 Å |
| α | 93.74 ± 0.002° |
| β | 107.823 ± 0.002° |
| γ | 92.785 ± 0.002° |
| Cell volume | 471.35 ± 0.03 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0465 |
| Residual factor for observed reflections | 0.0391 |
| Weighted residual factors for the observed reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for observed reflections | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |