Information card for entry 2233968

Structure parameters

• Chemical name: 1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl 2,3,4-tri-<i>O</i>-acetyl-β-D-xyloside
• Formula: C19 H19 N O10
• Calculated formula: C19 H19 N O10
• SMILES: CC(=O)O[C@H]1CO[C@H](ON2C(=O)c3ccccc3C2=O)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
• Title of publication: 1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl 2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xyloside
• Authors of publication: Tian, Runan; Haoriqinbatu; Liu, Hongchang; Wang, Xiaoming; Yang, Yonghua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o635
• a: 11.722 ± 0.002 Å
• b: 9.227 ± 0.0018 Å
• c: 19.615 ± 0.004 Å
• α: 90°
• β: 104.52 ± 0.03°
• γ: 90°
• Cell volume: 2053.8 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes