Information card for entry 4109257

Structure parameters

• Formula: C32.5 H25 O10.17
• Calculated formula: C32.5 H25 O10.1667
• 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: 10.56 ± 0.002 Å
• b: 17.366 ± 0.004 Å
• c: 22.721 ± 0.005 Å
• α: 90°
• β: 92.79 ± 0.03°
• γ: 90°
• Cell volume: 4161.8 ± 1.5 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: 0.1463
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1765
• 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