Information card for entry 2008038

Structure parameters

• Formula: C7 H14 N2 O6
• Calculated formula: C7 H14 N2 O6
• SMILES: O1[C@@H](NC(=O)N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
• Title of publication: β-1-<i>N</i>-Ureido-<small>D</small>-glucopyranose
• Authors of publication: Jarred T. Blank; Slawomir Z. Janicki; Peter A. Petillo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1992 - 1994
• a: 7.8978 ± 0.0001 Å
• b: 9.1364 ± 0.0002 Å
• c: 13.7581 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 992.75 ± 0.03 ų
• Cell temperature: 198 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.086
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No