Information card for entry 2212443

Structure parameters

• Chemical name: 2-<i>C</i>-Hydroxymethyl-2,3-<i>O</i>-isopropylidene-L-lyxono-1,5-lactam
• Formula: C9 H15 N O5
• Calculated formula: C9 H15 N O5
• SMILES: [C@]12([C@@H]([C@H](CNC1=O)O)OC(O2)(C)C)CO
• Title of publication: 5-Amino-5-deoxy-2-<i>C</i>-hydroxymethyl-2,3-<i>O</i>-isopropylidene-<small>L</small>-lyxono-1,5-lactam
• Authors of publication: Simone, Michela; Fleet, George W. J.; Bream, Richard; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1409 - o1411
• a: 6.2423 ± 0.0002 Å
• b: 12.0919 ± 0.0004 Å
• c: 14.1651 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1069.2 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes