Information card for entry 1555474

Structure parameters

• Formula: C17 H22 N O3 S
• Calculated formula: C17 H22 N O3 S
• SMILES: S(C[C@H]1N[C@@H]([C@H]2OC(O[C@H]2[C@@H]1O)(C)C)C=C)c1ccccc1
• Title of publication: Allylic Azide Rearrangement in Tandem with Huisgen Cycloaddition for Stereoselective Annulation: Synthesis of C-Glycosyl Iminosugars.
• Authors of publication: Moynihan, Lorna; Chadda, Rekha; McArdle, Patrick; Murphy, Paul V.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 6226 - 6229
• a: 8.5345 ± 0.0004 Å
• b: 8.8037 ± 0.0004 Å
• c: 11.0062 ± 0.0007 Å
• α: 90°
• β: 90.369 ± 0.005°
• γ: 90°
• Cell volume: 826.94 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No