Information card for entry 7113381

Structure parameters

• Formula: C22 H15 Co2 N O13
• Calculated formula: C22 H15 Co2 N O13
• SMILES: [Co]12([Co]3([CH]1=[C]23[C@@H]1O[C@H](C(C1)(C(=O)OC)C(=O)OC)c1ccc(cc1)N(=O)=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Co]12([Co]3([CH]1=[C]23[C@H]1O[C@@H](C(C1)(C(=O)OC)C(=O)OC)c1ccc(cc1)N(=O)=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Novel formation and use of a Nicholas carbocation in the synthesis of highly substituted tetrahydrofurans.
• Authors of publication: Christie, Steven D. R.; Davoile, Ryan J.; Elsegood, Mark R. J.; Fryatt, Ross; Jones, Raymond C. F.; Pritchard, Gareth J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 21
• Pages of publication: 2474 - 2475
• a: 6.8834 ± 0.0015 Å
• b: 8.189 ± 0.0018 Å
• c: 23.757 ± 0.005 Å
• α: 83.215 ± 0.004°
• β: 86.122 ± 0.004°
• γ: 67.37 ± 0.004°
• Cell volume: 1227 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No