Information card for entry 4022372

Structure parameters

• Formula: C24 H20 Co2 O7
• Calculated formula: C24 H20 Co2 O7
• SMILES: [Co]12([Co]3(C#[O])(C#[O])(C#[O])[C]1(=[C]23c1ccccc1)[C@H]1CCCC(=O)[C@H]1CCC=C)(C#[O])(C#[O])C#[O].[Co]12([Co]3(C#[O])(C#[O])(C#[O])[C]1(=[C]23c1ccccc1)[C@@H]1CCCC(=O)[C@@H]1CCC=C)(C#[O])(C#[O])C#[O]
• Title of publication: Investigation of a Stereoselective Co-Mediated Rearrangement Reaction
• Authors of publication: David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 4392 - 4399
• a: 16.902 ± 0.002 Å
• b: 15.406 ± 0.002 Å
• c: 18.03 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4695.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No