Information card for entry 4085315

Structure parameters

• Formula: C34 H38 Co4 O12 Si2
• Calculated formula: C34 H38 Co4 O12 Si2
• SMILES: C(=C(\[C]12=[C]3([Si](C)(C)C)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])C)/C(C)(C(C)(C)/C=C(\C)[C]12=[C]3([Si](C)(C)C)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])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: 8.1999 ± 0.0006 Å
• b: 9.5531 ± 0.0007 Å
• c: 14.6985 ± 0.0011 Å
• α: 93.156 ± 0.001°
• β: 95.574 ± 0.001°
• γ: 114.561 ± 0.0008°
• Cell volume: 1036.46 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No