Information card for entry 2205433

Structure parameters

• Chemical name: 2-Acetamido-N-benzyl-1,4-imino-1,2,4-trideoxy-L-ribitol
• Formula: C14 H20 N2 O3
• Calculated formula: C14 H20 N2 O3
• SMILES: [C@H]1(N(C[C@H]([C@H]1O)NC(=O)C)Cc1ccccc1)CO
• Title of publication: 2-Acetamido-<i>N</i>-benzyl-1,4-imino-1,2,4-trideoxy-<small>L</small>-ribitol
• Authors of publication: Christopher C. Harding; David J. Watkin; J. S. Shane Rountree; Terry D. Butters; Mark R. Wormald; Raymond A. Dwek; George W. J. Fleet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o930 - o932
• a: 6.8912 ± 0.0003 Å
• b: 7.3504 ± 0.0003 Å
• c: 13.6824 ± 0.0006 Å
• α: 90°
• β: 90.822 ± 0.002°
• γ: 90°
• Cell volume: 692.98 ± 0.05 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 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: 0.0394
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes