Information card for entry 4109254

Structure parameters

• Formula: C32 H26 O10
• Calculated formula: C32 H26 O10
• SMILES: O(c1cc(OC)cc2c1c(O)c1c3c2O[C@@]24[C@@H]([C@H]3CCC1=O)CCC(=C2C(=O)c1c(C4=O)cc(OC)cc1OC)O)C.O(c1cc(OC)cc2c1c(O)c1c3c2O[C@]24[C@H]([C@@H]3CCC1=O)CCC(=C2C(=O)c1c(C4=O)cc(OC)cc1OC)O)C
• Title of publication: Total Syntheses of 2,2'-epi-Cytoskyrin A, Rugulosin, and the Alleged Structure of Rugulin
• Authors of publication: K. C. Nicolaou; Yee Hwee Lim; Jared L. Piper; Charles D. Papageorgiou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 4001 - 4013
• a: 13.272 ± 0.003 Å
• b: 10.921 ± 0.002 Å
• c: 17.837 ± 0.004 Å
• α: 90°
• β: 103.66 ± 0.03°
• γ: 90°
• Cell volume: 2512.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No