Information card for entry 2221154

Structure parameters

• Chemical name: (<i>Z</i>)-1,2:5,6-Di-<i>O</i>-isopropylidene-α-D-<i>ribo</i>- hexofuranos-3-ulose <i>O</i>-benzyloxime
• Formula: C19 H25 N O6
• Calculated formula: C19 H25 N O6
• SMILES: N(=C\1[C@H]2OC(O[C@H]2O[C@@H]1[C@@H]1OC(OC1)(C)C)(C)C)/OCc1ccccc1
• Title of publication: (<i>Z</i>)-1,2:5,6-Di-<i>O</i>-isopropylidene-α-<small>D</small>-<i>ribo</i>-hexofuranos-3-ulose <i>O</i>-benzyloxime
• Authors of publication: Burkhardt, Anja; Eriksson, Lars; Widmalm, Göran; Cumpstey, Ian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o633
• a: 11.8012 ± 0.0012 Å
• b: 6.0019 ± 0.0005 Å
• c: 13.7021 ± 0.0011 Å
• α: 90°
• β: 95.122 ± 0.011°
• γ: 90°
• Cell volume: 966.64 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0653
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes