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Information card for entry 2241967
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| Coordinates | 2241967.cif |
|---|---|
| Structure factors | 2241967.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>S</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-\ 5-Acetyloxy-7-hydroxyimino-2-oxabicyclo[4.2.0]octan-4-yl acetate |
|---|---|
| Formula | C11 H15 N O6 |
| Calculated formula | C11 H15 N O6 |
| Title of publication | Crystal structures of three bicyclic carbohydrate derivatives |
| Authors of publication | Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1839 - 1844 |
| a | 8.991 ± 0.0003 Å |
| b | 9.6231 ± 0.0005 Å |
| c | 14.4915 ± 0.0006 Å |
| α | 90° |
| β | 101.742 ± 0.003° |
| γ | 90° |
| Cell volume | 1227.59 ± 0.09 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188752 (current) | 2016-11-30 | cif/ hkl/ Adding structures of 2241966, 2241967, 2241968 via cif-deposit CGI script. |
2241967.cif 2241967.hkl |
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