Information card for entry 1507469

Structure parameters

• Formula: C20 H22 Co2 O11 Si
• Calculated formula: C20 H22 Co2 O11 Si
• SMILES: [Co]12([Co]3([C]1(C)=[C]23[C@@H]1O[C@H]([Si](C)(C)C)[C@H]([C@H]1C(=O)OC)C(=O)OC)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Co]12([Co]3([C]1(C)=[C]23[C@H]1O[C@@H]([Si](C)(C)C)[C@@H]([C@@H]1C(=O)OC)C(=O)OC)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Cobalt Cluster-Containing Carbonyl Ylides for Catalytic, Three-Component Assembly of Oxygen Heterocycles
• Authors of publication: Skaggs, Aaron J.; Lin, Eleanor Y.; Jamison, Timothy F.
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 13
• Pages of publication: 2277
• a: 11.678 ± 0.006 Å
• b: 9.253 ± 0.005 Å
• c: 24.678 ± 0.013 Å
• α: 90°
• β: 94.235 ± 0.009°
• γ: 90°
• Cell volume: 2659 ± 2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No