Information card for entry 4105163

Structure parameters

• Formula: C34 H34 O10
• Calculated formula: C34 H34 O10
• SMILES: O(c1cc(OC)cc2c1C(=O)C1=C(O)CCC[C@]1(C2=O)[C@H]1CCc2c(C1=O)c(OC)c1c(c2OC)cc(OC)cc1OC)C.O(c1cc(OC)cc2c1C(=O)C1=C(O)CCC[C@@]1(C2=O)[C@@H]1CCc2c(C1=O)c(OC)c1c(c2OC)cc(OC)cc1OC)C
• Title of publication: Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds
• Authors of publication: K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14812 - 14826
• a: 11.151 ± 0.002 Å
• b: 27.735 ± 0.006 Å
• c: 9.5831 ± 0.0019 Å
• α: 90°
• β: 109.99 ± 0.03°
• γ: 90°
• Cell volume: 2785.2 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No