Information card for entry 4109253

Structure parameters

• Formula: C32 H26 O10
• Calculated formula: C32 H26 O10
• SMILES: O(c1cc(OC)cc2c1C(=O)C1=C(C2=O)[C@@H](CCC1=O)[C@@H]1CCC(=O)C2=C1C(=O)c1c(C2=O)c(OC)cc(OC)c1)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: 8.023 ± 0.0016 Å
• b: 15.755 ± 0.003 Å
• c: 9.998 ± 0.002 Å
• α: 90°
• β: 96.71 ± 0.03°
• γ: 90°
• Cell volume: 1255.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No