Information card for entry 4109255

Structure parameters

• Formula: C32 H26 O10
• Calculated formula: C32 H26 O10
• SMILES: c1(cc(cc2c1C(=O)C1C(=O)CC[C@H](C=1C2=O)[C@H]1C2=C(C(=O)CC1)C(=O)c1c(cc(cc1C2=O)OC)OC)OC)OC.c1(cc(cc2c1C(=O)C1C(=O)CC[C@@H](C=1C2=O)[C@@H]1C2=C(C(=O)CC1)C(=O)c1c(cc(cc1C2=O)OC)OC)OC)OC
• 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: 9.3701 ± 0.0019 Å
• b: 20.283 ± 0.004 Å
• c: 14.007 ± 0.003 Å
• α: 90°
• β: 108.28 ± 0.03°
• γ: 90°
• Cell volume: 2527.7 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1874
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No