Information card for entry 4102414

Structure parameters

• Formula: C26 H48 O4 Si
• Calculated formula: C26 H48 O4 Si
• SMILES: [Si](OC[C@]12[C@H]([C@H]([C@@]3([C@H]1O)CC[C@@H]([C@@H]3O)C(O)(C)C)CC2)C=C)(C(C)C)(C(C)C)C(C)C.[Si](OC[C@@]12[C@@H]([C@@H]([C@]3([C@@H]1O)CC[C@H]([C@H]3O)C(O)(C)C)CC2)C=C)(C(C)C)(C(C)C)C(C)C
• 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: 7.8543 ± 0.0016 Å
• b: 12.234 ± 0.002 Å
• c: 14.429 ± 0.003 Å
• α: 98.59 ± 0.03°
• β: 99.5 ± 0.03°
• γ: 95.83 ± 0.03°
• Cell volume: 1340.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No