Information card for entry 7105094

Structure parameters

• Formula: C27 H20 Co2 O11 S
• Calculated formula: C27 H20 Co2 O11 S
• SMILES: [Co]12([Co]3([C]1(c1ccccc1)=[C]23[C@@H]1O[C@@H](C(CC1)(C(=O)OC)C(=O)OC)c1cccs1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Co]12([Co]3([C]1(c1ccccc1)=[C]23[C@H]1O[C@H](C(CC1)(C(=O)OC)C(=O)OC)c1cccs1)(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: 8.648 ± 0.0005 Å
• b: 12.0683 ± 0.0007 Å
• c: 14.2184 ± 0.0009 Å
• α: 107.287 ± 0.0009°
• β: 93.7267 ± 0.0009°
• γ: 91.7003 ± 0.0009°
• Cell volume: 1412.03 ± 0.15 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: 0.0421
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No