Information card for entry 1548480

Structure parameters

• Formula: C10 H16 N O3
• Calculated formula: C10 H16 N O3
• SMILES: OC[C@H]1N2[C@H]([C@H](O)[C@@H]1O)CCC[C@@H]2C
• Title of publication: Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars
• Authors of publication: Milan Bergeron-Brlek; Michael Meanwell; Robert Britton
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 6903
• a: 5.0728 ± 0.0003 Å
• b: 14.5938 ± 0.0007 Å
• c: 15.1058 ± 0.0008 Å
• α: 83.648 ± 0.003°
• β: 81.203 ± 0.003°
• γ: 83.714 ± 0.003°
• Cell volume: 1093.47 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No