Information card for entry 2208384

Structure parameters

• Chemical name: 4-N-Acetylamino-5-[N-acetyl-N-(tetra-O-acetyl-β-D- glucopyranosyl)amino]-1,3-dimethyluracil
• Formula: C24 H32 N4 O13
• Calculated formula: C24 H32 N4 O13
• SMILES: N1(C)C(=O)N(C)C(NC(=O)C)=C(N(C(=O)C)[C@H]2[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](COC(=O)C)O2)C1=O
• Title of publication: 4-<i>N</i>-Acetylamino-5-[<i>N</i>-acetyl-<i>N</i>-(tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)amino]-1,3-dimethyluracil
• Authors of publication: Sánchez Rodrigo, Adolfo; Nogueras Montiel, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o969 - o971
• a: 8.849 ± 0.0001 Å
• b: 17.8429 ± 0.0002 Å
• c: 18.3058 ± 0.0002 Å
• α: 90°
• β: 103.783 ± 0.0008°
• γ: 90°
• Cell volume: 2807.11 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes