Information card for entry 4125611

Structure parameters

• Formula: C40 H35 Br O6
• Calculated formula: C40 H35 Br O6
• Title of publication: Asymmetric Alkylation of Anthrones, Enantioselective Total Synthesis of (−)- and (+)-Viridicatumtoxins B and Analogues Thereof: Absolute Configuration and Potent Antibacterial Agents
• Authors of publication: Nicolaou, K. C.; Liu, Guodu; Beabout, Kathryn; McCurry, Megan D.; Shamoo, Yousif
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.1353 ± 0.0009 Å
• b: 11.9253 ± 0.001 Å
• c: 13.8345 ± 0.0012 Å
• α: 88.869 ± 0.001°
• β: 80.361 ± 0.001°
• γ: 79.359 ± 0.001°
• Cell volume: 1620.1 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No