Information card for entry 1548474

Structure parameters

• Formula: C21 H25 N O3
• Calculated formula: C21 H24 N O3
• SMILES: C1[C@@H]2[C@H]([C@H]([C@H](c3ccccc3)N2Cc2ccccc2)O)OC(C)(C)O1
• 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: 9.5905 ± 0.0002 Å
• b: 9.5905 ± 0.0002 Å
• c: 19.7424 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1815.86 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No