Information card for entry 2201048

Structure parameters

• Chemical name: 1,2,3,4-tetra-acetyl-alpha-D-glucuronamide
• Formula: C14 H19 N O10
• Calculated formula: C14 H19 N O10
• SMILES: O1[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1C(=O)N
• Title of publication: 1,2,3,4-Tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranuronamide
• Authors of publication: Thomas C. Baddeley; Iain G. Davidson; Janet M. S. Skakle; James L. Wardell
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o447 - o449
• a: 5.5811 ± 0.0002 Å
• b: 16.955 ± 0.0006 Å
• c: 17.7323 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1677.96 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes