Information card for entry 4108911

Structure parameters

• Formula: C43 H76 O12 Si3
• Calculated formula: C43 H76 O12 Si3
• SMILES: [Si](O[C@]1([C@@H](OC(=O)[C@@H]([C@@H]([C@]1(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)O[Si](C)(C)C)OCc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)(C)(C)C(C)(C)C.[Si](O[C@@]1([C@H](OC(=O)[C@H]([C@H]([C@@]1(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)O[Si](C)(C)C)OCc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)(C)(C)C(C)(C)C
• Title of publication: Self-Consistent Synthesis of the Squalene Synthase Inhibitor Zaragozic Acid C via Controlled Oligomerization
• Authors of publication: David A. Nicewicz; Andrew D. Satterfield; Daniel C. Schmitt; Jeffrey S. Johnson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17281 - 17283
• a: 11.454 ± 0.0003 Å
• b: 37.1782 ± 0.0011 Å
• c: 12.5431 ± 0.0004 Å
• α: 90°
• β: 108.349 ± 0.002°
• γ: 90°
• Cell volume: 5069.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No