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Information card for entry 7151787
Preview
| Coordinates | 7151787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 2-hydroxynaphtho(1,8-de)(1,3,2)dithiazine 1,1,3,3-tetraoxide monohydrate |
|---|---|
| Chemical name | 2-hydroxynaphtho[1,8-de][1,3,2]dithiazine 1,1,3,3-tetraoxide monohydrate |
| Formula | C10 H9 N O6 S2 |
| Calculated formula | C10 H9 N O6 S2 |
| SMILES | c12cccc3c1c(ccc3)S(=O)(=O)N(O)S2(=O)=O.O |
| 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 | 6.9698 ± 0.0002 Å |
| b | 9.4671 ± 0.0003 Å |
| c | 17.75 ± 0.0004 Å |
| α | 90° |
| β | 94.399 ± 0.002° |
| γ | 90° |
| Cell volume | 1167.76 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0645 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.1599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151787.cif |
| 180303 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17. |
7151787.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151787.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151787.cif |
| 21267 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151787, 7151788, 7151789, 7151790, 7151791 via cif-deposit CGI script. |
7151787.cif |
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