Information card for entry 4102418

Structure parameters

• Formula: C30 H52 O4 Si
• Calculated formula: C29 H52 O4 Si
• SMILES: [Si](OC[C@@]12[C@H](O)[C@]3([C@@H]([C@@H]1C=C)CC2)CC[C@@H]1[C@H]3OC(OC1(C)C)(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 True Structures of Vannusals A and B
• Authors of publication: K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7153 - 7176
• a: 8.6041 ± 0.0017 Å
• b: 18.186 ± 0.004 Å
• c: 19.188 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002.4 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No