Information card for entry 7151564

Structure parameters

• Formula: C28 H34 N2 O9 S
• Calculated formula: C28 H34 N2 O9 S
• SMILES: S(=O)(=O)(N/N=C/c1cc(OC)c(O[C@@H]([C@H](O)c2cc(OC)c(OC)c(OC)c2)C)c(OC)c1)c1ccc(cc1)C
• Title of publication: The synthesis of the anti-malarial natural product polysphorin and analogues using polymer-supported reagents and scavengers
• Authors of publication: Lee, Ai-Lan; Ley, Steven V.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 22
• Pages of publication: 3957
• a: 22.4427 ± 0.0004 Å
• b: 11.0768 ± 0.0003 Å
• c: 12.8817 ± 0.0002 Å
• α: 90°
• β: 114.475 ± 0.002°
• γ: 90°
• Cell volume: 2914.55 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No