Information card for entry 4085314

Structure parameters

• Formula: C32 H34 Co4 O12 Si2
• Calculated formula: C32 H34 Co4 O12 Si2
• SMILES: [C]12(=[C]3(/C=C/C(C)(C)C(/C=C/[C]45=[C]6([Co]4(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])[Si](C)(C)C)(C)C)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])[Si](C)(C)C
• Title of publication: Assembling Contiguous Quaternary Carbon Atoms: Regio- and Stereoselective Rearrangements in Cobalt-Directed Radical Reactions of 1,4-Enynes
• Authors of publication: Melikyan, Gagik G.; Hughes, Rhoda; Rivas, Bianca; Duncan, Kellyanne; Sahakyan, Nare
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 242
• a: 8.078 ± 0.0009 Å
• b: 8.1647 ± 0.0011 Å
• c: 15.667 ± 0.002 Å
• α: 88.433 ± 0.011°
• β: 86.353 ± 0.01°
• γ: 77.394 ± 0.01°
• Cell volume: 1006.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No