Information card for entry 2005931

Structure parameters

• Chemical name: 1,2-O-isopropylidene-3-acetamido-5-O-acetyl-D-ribofuranose
• Formula: C12 H19 N O6
• Calculated formula: C12 H19 N O6
• SMILES: CC(=O)N[C@@H]1[C@@H](COC(=O)C)O[C@H]2[C@@H]1OC(O2)(C)C
• Title of publication: 3-Acetamido-5-<i>O</i>-acetyl-1,2-<i>O</i>-isopropylidene-<small>D</small>-ribofuranose
• Authors of publication: Abboud, K. A.; Parr, I. B.; Horenstein, B. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 245 - 247
• a: 8.7563 ± 0.0001 Å
• b: 9.0187 ± 0.0002 Å
• c: 16.9354 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1337.4 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0354
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.0729
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No