Information card for entry 1518489

Structure parameters

• Formula: C22 H14 Co2 O11
• Calculated formula: C22 H14 Co2 O11
• SMILES: [Co]12([Co]3(C#[O])(C#[O])(C#[O])[C]41=[C]23c1ccccc1[C@H]1O[C@@H]4CC1(C(=O)OC)C(=O)OC)(C#[O])(C#[O])C#[O].[Co]12([Co]3(C#[O])(C#[O])(C#[O])[C]41=[C]23c1ccccc1[C@@H]1O[C@H]4CC1(C(=O)OC)C(=O)OC)(C#[O])(C#[O])C#[O]
• Title of publication: Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons.
• Authors of publication: Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 218 - 221
• a: 8.0572 ± 0.0016 Å
• b: 8.3258 ± 0.0017 Å
• c: 17.63 ± 0.004 Å
• α: 88.79 ± 0.03°
• β: 84.64 ± 0.03°
• γ: 75.45 ± 0.03°
• Cell volume: 1139.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No