Information card for entry 7105093

Structure parameters

• Formula: C27 H20 Co2 O12
• Calculated formula: C27 H20 Co2 O12
• SMILES: [Co]12([Co]3([C]1(=[C]23[C@@H]1CCC([C@@H](O1)c1ccco1)(C(=O)OC)C(=O)OC)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Co]12([Co]3([C]1(=[C]23[C@H]1CCC([C@H](O1)c1ccco1)(C(=O)OC)C(=O)OC)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Preparation of highly substituted tetrahydropyrans via a metal assisted dipolar cycloaddition reaction
• Authors of publication: Eric A. Allart; Steven D. R. Christie; Gareth J. Pritchard; Mark R. J. Elsegood
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7339 - 7341
• a: 8.0886 ± 0.0005 Å
• b: 11.7239 ± 0.0007 Å
• c: 15.7788 ± 0.0009 Å
• α: 106.534 ± 0.0008°
• β: 102.796 ± 0.0009°
• γ: 91.9661 ± 0.0009°
• Cell volume: 1391.2 ± 0.14 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: 0.0426
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No