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CIF Information Card
Information card for 7151790
7151789 << 7151790 >> 7151791Preview
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Coordinates |
7151790.cif |
Structure parameters
| Common name | 4-butyl-2-hydroxynaphtho(1,8-de)(1,3,2)dithiazine 1,1,3,3- tetraoxide monohydrate |
| Chemical name | 4-butyl-2-hydroxynaphtho[1,8-de][1,3,2]dithiazine 1,1,3,3-tetraoxide monohydrate |
| Formula | - C14 H17 N O6 S2 - |
| Calculated formula | - C14 H17 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 | 12.0422 ± 0.0014 Å |
| b | 13.3971 ± 0.0013 Å |
| c | 21.306 ± 0.003 Å |
| α | 72.268 ± 0.007° |
| β | 81.717 ± 0.004° |
| γ | 74.535 ± 0.007° |
| Cell volume | 3148.1 ± 0.7 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 | 0.2695 |
| Residual factor for observed reflections | 0.1509 |
| Weighted residual factors for the observed reflections | 0.2496 |
| Weighted residual factors for all reflections included in the refinement | 0.3157 |
| Goodness-of-fit parameter for observed reflections | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |