Information card for entry 1555701

Structure parameters

• Formula: C16 H30 N2 O7 S
• Calculated formula: C16 H30 N2 O7 S
• SMILES: S(=O)(N[C@@H]([C@H]1OC(O[C@@H]1[C@@H]1OC(OC1)(C)C)(C)C)CN(=O)=O)C(C)(C)C
• Title of publication: Total Synthesis of Anti-Influenza Agents Zanamivir and Zanaphosphor via Asymmetric Aza-Henry Reaction.
• Authors of publication: Lin, Long-Zhi; Fang, Jim-Min
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4400 - 4403
• a: 10.1789 ± 0.0003 Å
• b: 11.9132 ± 0.0004 Å
• c: 18.0755 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2191.89 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No