Information card for entry 7156100

Structure parameters

• Formula: C25 H22 Co2 O9
• Calculated formula: C25 H22 Co2 O9
• SMILES: [Co]12([Co]3([C]1([C@H](OCc1ccccc1)[C@@]1([C@@H]4O[C@H]([C@H](C1=O)C)CC4)C)=[CH]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Co]12([Co]3([C]1([C@@H](OCc1ccccc1)[C@]1([C@H]4O[C@@H]([C@@H](C1=O)C)CC4)C)=[CH]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of the 10-oxabicyclo[5.2.1]decane framework present in bioactive natural products.
• Authors of publication: Montaña, Ángel M; Ponzano, Stefano; Sanasi, Maria-Filomena; Kociok-Köhn, Gabriele
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 1557 - 1580
• a: 8.576 ± 0.0001 Å
• b: 9.059 ± 0.0001 Å
• c: 16.3 ± 0.0003 Å
• α: 81.049 ± 0.001°
• β: 89.263 ± 0.001°
• γ: 78.661 ± 0.001°
• Cell volume: 1226.3 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No