Information card for entry 1548477

Structure parameters

• Formula: C18 H23 N O3
• Calculated formula: C18 H23 N O3
• SMILES: O[C@H]1[C@@H](N([C@H]2[C@H]1OC(OC2)(C)C)Cc1ccccc1)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: 9.3102 ± 0.0003 Å
• b: 9.6848 ± 0.0003 Å
• c: 18.5136 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1669.32 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No