Information card for entry 4022373

Structure parameters

• Formula: C24 H22 Co2 O7
• Calculated formula: C24 H22 Co2 O7
• SMILES: [Co]12([Co]3(C#[O])(C#[O])(C#[O])[C]1(=[C]23c1ccccc1)[C@@H]1[C@H](C(=O)CCC1)C(C)(C)C)(C#[O])(C#[O])C#[O].[Co]12([Co]3(C#[O])(C#[O])(C#[O])[C]1(=[C]23c1ccccc1)[C@H]1[C@@H](C(=O)CCC1)C(C)(C)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: 16.4131 ± 0.0019 Å
• b: 13.057 ± 0.0015 Å
• c: 23.774 ± 0.003 Å
• α: 90°
• β: 110.138 ± 0.002°
• γ: 90°
• Cell volume: 4783.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No