Information card for entry 4034788

Structure parameters

• Formula: C28 H39 N O10 S2
• Calculated formula: C28 H39 N O10 S2
• SMILES: S(=O)(=O)(N1[C@@H]([C@H]2OC(O[C@H]2[C@@H]1[C@@H](O)[C@H](OCc1ccccc1)[C@@H](OS(=O)(=O)C)COCc1ccccc1)(C)C)C)C
• Title of publication: Total Synthesis of Natural Hyacinthacine C₅ and Six Related Hyacinthacine C₅ Epimers.
• Authors of publication: Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 10
• Pages of publication: 5558 - 5576
• a: 12.1681 ± 0.0002 Å
• b: 13.7635 ± 0.0004 Å
• c: 19.2104 ± 0.0006 Å
• α: 100.542 ± 0.002°
• β: 90.699 ± 0.002°
• γ: 90.063 ± 0.002°
• Cell volume: 3162.72 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections: 0.1597
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9806
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No