Information card for entry 4105162

Structure parameters

• Formula: C41 H40.5 N1.5 O7 Si
• Calculated formula: C41 H40.5 N1.5 O7 Si
• SMILES: [Si](O[C@H]([C@H]1C2=C(C(=O)c3c(OCc4ccc(N(=O)=O)cc4)cccc3C2=O)C(=O)C[C@H]1C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1.N#CC
• 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: 15.742 ± 0.003 Å
• b: 26.645 ± 0.005 Å
• c: 17.681 ± 0.004 Å
• α: 90°
• β: 103.16 ± 0.03°
• γ: 90°
• Cell volume: 7221 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1624
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2501
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No