Information card for entry 7105091

Structure parameters

• Formula: C24 H20 Co2 O11
• Calculated formula: C24 H20 Co2 O11
• SMILES: [Co]12([Co]3([C]1(=[C]23[C@H]1CCC([C@H](O1)C)(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)C)(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: 30.41 ± 0.0016 Å
• b: 8.0633 ± 0.0004 Å
• c: 22.1301 ± 0.0012 Å
• α: 90°
• β: 109.382 ± 0.0008°
• γ: 90°
• Cell volume: 5118.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No