Information card for entry 2228533

Structure parameters

• Common name: Ethyl 4,6-<i>O</i>-benzylidene-2-deoxy-<i>N</i>-phthalimido-1- thio-β-D-glucopyranoside
• Chemical name: ethyl 4,6-<i>O</i>-benzylidene-2-deoxy-<i>N</i>-(1,3-dioxo-2,3-dihydro- 1H-isoindol-2-yl)-1-thio-β-D-glucopyranoside
• Formula: C23 H23 N O6 S
• Calculated formula: C23 H23 N O6 S
• SMILES: S(CC)[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)c1ccccc1)O)N1C(=O)c2ccccc2C1=O
• Title of publication: Ethyl 4,6-<i>O</i>-benzylidene-2-deoxy-<i>N</i>-phthalimido-1-thio-β-<small>D</small>-glucopyranoside
• Authors of publication: Hamark, Christoffer; Landström, Jens; Eriksson, Lars; Widmalm, Göran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3249
• a: 8.6728 ± 0.0006 Å
• b: 9.7583 ± 0.001 Å
• c: 25.3102 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2142 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes