Information card for entry 4082509

Structure parameters

• Formula: C28 H30 Co4 O14 Si2
• Calculated formula: C28 H30 Co4 O14 Si2
• SMILES: [C]12(=[C]3([C@@H]([C@H]([C]45=[C]6([Co]4(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])[Si](C)(C)C)OCC)OCC)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])[Si](C)(C)C.[C]12(=[C]3([C@H]([C@@H]([C]45=[C]6([Co]4(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])[Si](C)(C)C)OCC)OCC)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])[Si](C)(C)C
• Title of publication: Radical Reactions of the Cobalt-Complexed Propargyl Acetals: Inter- and Intramolecular Variants
• Authors of publication: Melikyan, Gagik G.; Voorhees, Erin; Sepanian, Ruth
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 69
• a: 17.7878 ± 0.0012 Å
• b: 12.6131 ± 0.0006 Å
• c: 17.4643 ± 0.001 Å
• α: 90°
• β: 100.008 ± 0.005°
• γ: 90°
• Cell volume: 3858.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2723
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No