Information card for entry 1548479

Structure parameters

• Formula: C14 H23 N O3
• Calculated formula: C14 H23 N O3
• SMILES: O1C[C@H]2N([C@H]([C@@H]([C@@H]2OC1(C)C)O)CC=C)CC=C
• 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: 12.8285 ± 0.0006 Å
• b: 12.8285 ± 0.0006 Å
• c: 18.0935 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2977.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No