Information card for entry 4020663

Structure parameters

• Formula: C34 H28 Co4 O16
• Calculated formula: C34 H28 Co4 O16
• SMILES: [C]123=[C]4([Co]1(C#[O])(C#[O])([Co]24(C#[O])(C#[O])C#[O])C#[O])[C@H](CCC=C)OC(=O)CCC[C]12=[C]4([C@@H](CCC=C)OC(=O)CCC3)[Co]1(C#[O])(C#[O])(C#[O])[Co]24(C#[O])(C#[O])C#[O]
• Title of publication: Nicholas Reactions with Carboxylic Acids for the Synthesis of Macrocyclic Diolides
• Authors of publication: Kevin M. Shea; Kristina D. Closser; Miriam M. Quintal
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9088 - 9091
• a: 7.9987 ± 0.0001 Å
• b: 15.5029 ± 0.0003 Å
• c: 16.5298 ± 0.0004 Å
• α: 90°
• β: 103.866 ± 0.0006°
• γ: 90°
• Cell volume: 1990.01 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No