Information card for entry 2203635

Structure parameters

• Chemical name: 2-C-Hydroxymethyl-2,3-O-isopropylidene-D-ribono-1,5-lactam
• Formula: C9 H14 N O5
• Calculated formula: C9 H14 N O5
• SMILES: [C@]12([C@@H]([C@@H](CNC1=O)O)OC(O2)(C)C)CO
• Title of publication: 2-<i>C</i>-Hydroxymethyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-ribono-1,5-lactam
• Authors of publication: Newton, Christopher R.; Iezzi, Simone Michela; Fleet, George W. J.; Blériot, Yves; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o909 - o910
• a: 7.3137 ± 0.0001 Å
• b: 10.6657 ± 0.0002 Å
• c: 12.6476 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 986.59 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0401
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes