Information card for entry 2235910

Structure parameters

• Chemical name: <i>N</i>-Benzyl-3,5-dideoxy-3,5-imino-1,2-<i>O</i>-isopropylidene- β-L-lyxofuranose
• Formula: C15 H19 N O3
• Calculated formula: C15 H19 N O3
• SMILES: O1[C@@H]2[C@@H]3N(C[C@@H]3O[C@@H]2OC1(C)C)Cc1ccccc1
• Title of publication: <i>N</i>-Benzyl-3,5-dideoxy-3,5-imino-1,2-<i>O</i>-isopropylidene-β-<small>L</small>-lyxofuranose
• Authors of publication: Edgeley, David S.; Jenkinson, Sarah F.; Lenagh-Snow, Gabriel; Rutherford, Catherine; Fleet, George W. J.; Thompson, Amber L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2410
• a: 9.1674 ± 0.0002 Å
• b: 5.7551 ± 0.0001 Å
• c: 13.1112 ± 0.0003 Å
• α: 90°
• β: 106.954 ± 0.0008°
• γ: 90°
• Cell volume: 661.67 ± 0.02 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0354
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9426
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes