Information card for entry 2205309

Structure parameters

• Common name: Methyl (2,3,4-tetra-O-acetyl-β-D-glucopyranosyl azide)uronate
• Chemical name: Methyl 2,3,4-tetra-O-acetyl-1-azido-1-deoxy-β-D-glucopyranuronate
• Formula: C13 H17 N3 O9
• Calculated formula: C13 H17 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]1C(=O)OC
• Title of publication: Methyl 2,3,4-tri-<i>O</i>-acetyl-1-azido-1-deoxy-β-<small>D</small>-glucopyranuronate at room temperature
• Authors of publication: Brendon L. Wilkinson; Laurent F. Bornaghi; Todd A. Houston; Sally-Ann Poulsen; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o738 - o740
• a: 14.059 ± 0.003 Å
• b: 16.336 ± 0.002 Å
• c: 7.356 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1689.4 ± 0.8 ų
• Cell temperature: 295 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: 0.1009
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes