Information card for entry 2213513

Structure parameters

• Chemical name: Benzyl 2-amino-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside
• Formula: C20 H23 N O5
• Calculated formula: C20 H23 N O5
• SMILES: N[C@H]1[C@H](O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@@H]1O)OCc1ccccc1
• Title of publication: Benzyl 2-amino-4,6-<i>O</i>-benzylidene-2-deoxy-α-<small>D</small>-glucopyranoside
• Authors of publication: Burkhardt, Anja; Buchholz, Axel; Görls, Helmar; Plass, Winfried
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2527 - o2529
• a: 13.089 ± 0.003 Å
• b: 4.9156 ± 0.001 Å
• c: 15.196 ± 0.003 Å
• α: 90°
• β: 114.15 ± 0.03°
• γ: 90°
• Cell volume: 892.1 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes