Information card for entry 4102417

Structure parameters

• Formula: C27 H45 N O3 Si
• Calculated formula: C27 H45 N O3 Si
• SMILES: [Si](OC[C@@]12[C@@H]3OC(O[C@@H]4[C@@]3([C@@H]([C@@H]1C=C)CC2)CC[C@H]4C#N)(C)C)(C(C)C)(C(C)C)C(C)C.[Si](OC[C@]12[C@H]3OC(O[C@H]4[C@]3([C@H]([C@H]1C=C)CC2)CC[C@@H]4C#N)(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: 7.968 ± 0.0016 Å
• b: 11.498 ± 0.002 Å
• c: 15.381 ± 0.003 Å
• α: 103.76 ± 0.03°
• β: 97.93 ± 0.03°
• γ: 97.76 ± 0.03°
• Cell volume: 1334.8 ± 0.5 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No