Information card for entry 4102416

Structure parameters

• Formula: C40 H51 Br N O6
• Calculated formula: C40 H52 Br N O6
• Title of publication: Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the Originally Assigned Structure of Vannusal B
• Authors of publication: K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Philippe Dagneau; Andreas Lanver; Michael P. Jennings; Stellios Arseniyadis; Raffaella Faraoni; Dimitrios E. Lizos
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7138 - 7152
• a: 38.042 ± 0.008 Å
• b: 11.144 ± 0.002 Å
• c: 26.725 ± 0.005 Å
• α: 90°
• β: 130.87 ± 0.03°
• γ: 90°
• Cell volume: 8568 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1214
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No