Information card for entry 4067508

Structure parameters

• Formula: C42 H34 Co2 O6 Si2
• Calculated formula: C42 H34 Co2 O6 Si2
• SMILES: c1cccc2c3ccccc3C(=C=C([Si](C)(C)C)C3(c4ccccc4c4ccccc34)[C]34=[C]5([Si](C)(C)C)[Co]3(C#[O])(C#[O])(C#[O])[Co]45(C#[O])(C#[O])C#[O])c12
• Title of publication: Different Reactivity Patterns of Trimethylsilyl- and Phenyl-Substituted Propargylallenes: Fe2(CO)9- and [Ag]±Promoted Cyclizations
• Authors of publication: Oulié, Pascal; Altes, Lena; Milosevic, Sandra; Bouteille, Romain; Müller-Bunz, Helge; McGlinchey, Michael J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 676
• a: 9.2714 ± 0.0017 Å
• b: 20.869 ± 0.004 Å
• c: 20.063 ± 0.004 Å
• α: 90°
• β: 95.647 ± 0.004°
• γ: 90°
• Cell volume: 3863 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No