Information card for entry 4028023

Structure parameters

• Formula: C54 H70 O8 Si4
• Calculated formula: C56 H102 O8 Si4
• SMILES: [Si](O[C@@]1(C[C@H](O[Si](CC)(CC)CC)CC(=O)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@@H](C[C@@H](OC(=O)/C(=C/CCCC(=O)/C=C/C[C@@H](CC(C=C1C)=C)C)C)C)C)C)(CC)(CC)CC
• Title of publication: Amphidinolide B: Total Synthesis, Structural Investigation, and Biological Evaluation
• Authors of publication: Liang Lu; Wei Zhang; Sangkil Nam; David A. Horne; Richard Jove; Rich G. Carter
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 2213 - 2247
• a: 11.506 ± 0.003 Å
• b: 22.806 ± 0.005 Å
• c: 12.71 ± 0.003 Å
• α: 90°
• β: 107.571 ± 0.003°
• γ: 90°
• Cell volume: 3179.6 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No