Information card for entry 4115408

Structure parameters

• Formula: C18 H20 Co2 O9 Si
• Calculated formula: C18 H20 Co2 O9 Si
• SMILES: [C]12(=[C]3([C@H](CC)O[C@H]4CCOC4=O)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])[Si](C)(C)C
• Title of publication: Intramolecular Silicon-Assisted Cross-Coupling: Total Synthesis of (+)-Brasilenyne
• Authors of publication: Scott E. Denmark; Shyh-Ming Yang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 15196 - 15197
• a: 8.3625 ± 0.001 Å
• b: 32.698 ± 0.004 Å
• c: 8.8068 ± 0.0011 Å
• α: 90°
• β: 107.747 ± 0.002°
• γ: 90°
• Cell volume: 2293.5 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No