Information card for entry 2205435

Structure parameters

• Chemical name: 1-Amino-N,N-dibenzyl-1,6-dideoxy-β-L-fructofuranose
• Formula: C20 H25 N O4
• Calculated formula: C20 H25 N O4
• SMILES: [C@]1([C@@H]([C@H]([C@@H](O1)C)O)O)(CN(Cc1ccccc1)Cc1ccccc1)O
• Title of publication: 1-Amino-<i>N</i>,<i>N</i>-dibenzyl-1,6-dideoxy-β-<small>L</small>-fructofuranose
• Authors of publication: Christopher C. Harding; David J. Watkin; David J. Hotchkiss; Joseph M.D. Cook; George W. J. Fleet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o995 - o997
• a: 10.8823 ± 0.0002 Å
• b: 5.469 ± 0.0001 Å
• c: 15.3816 ± 0.0002 Å
• α: 90°
• β: 103.882 ± 0.0011°
• γ: 90°
• Cell volume: 888.7 ± 0.03 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: 0.0424
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes