Information card for entry 4108910

Structure parameters

• Formula: C32 H62 O9 Si2
• Calculated formula: C32 H62 O9 Si2
• SMILES: [Si](O[C@@](C=C)([C@@](C(=O)OC(C)(C)C)([C@H](O)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)(C)(C)C(C)(C)C.[Si](O[C@](C=C)([C@](C(=O)OC(C)(C)C)([C@@H](O)C(=O)OC(C)(C)C)O[Si](C)(C)C(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: 11.015 ± 0.003 Å
• b: 11.65 ± 0.003 Å
• c: 17.577 ± 0.005 Å
• α: 83.474 ± 0.003°
• β: 72.775 ± 0.004°
• γ: 65.177 ± 0.002°
• Cell volume: 1955.2 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No