Information card for entry 2241967

Structure parameters

• 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 ų
• 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