Information card for entry 2204535

Structure parameters

• Chemical name: 2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl azide
• Formula: C14 H19 N3 O9
• Calculated formula: C14 H19 N3 O9
• SMILES: O1[C@@H](N=N#N)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(=O)C
• Title of publication: 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl azide
• Authors of publication: Temelkoff, David P.; Norris, Peter; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1975 - o1976
• a: 7.297 ± 0.0003 Å
• b: 14.7022 ± 0.0007 Å
• c: 15.8692 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1702.48 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes