Information card for entry 2003474

Structure parameters

• Chemical name: Benzyl 2-acetimido-4-azido-3-O-benzyl-6-O-(tert-butyldiphenylsilyl)- 2,4-dideoxy-β-D-glucopyranoside
• Formula: C38 H42 N4 O6 Si
• Calculated formula: C38 H42 N4 O6 Si
• SMILES: [C@H]1(OCc2ccccc2)[C@@H]([C@@H](OC(=O)c2ccccc2)[C@@H]([C@H](O1)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)N=N#N)NC(=O)C
• Title of publication: Benzyl 2-Acetamido-4-azido-3-<i>O</i>-benzoyl-6-<i>O</i>-(<i>tert</i>-butyldiphenylsilyl)-2,4-dideoxy-β-<small>D</small>-glucopyranoside
• Authors of publication: Barnes, J. C.; Field, R. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1018 - 1020
• a: 15.273 ± 0.001 Å
• b: 15.273 ± 0.001 Å
• c: 27.399 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5535 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.1141
• Weighted residual factors for significantly intense reflections: 0.0919
• Goodness-of-fit parameter for all reflections: 0.562
• Goodness-of-fit parameter for significantly intense reflections: 0.635
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No