Information card for entry 4108961

Structure parameters

• Formula: C130 H153 Co4 N8 O9
• Calculated formula: C130 H153 Co4 N8 O9
• SMILES: [Co]123Oc4c(c5c(cc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)cccc5)c1c2O[Co]34Oc5c(cc(cc5C=[N]3[C@@H]3CCCC[C@H]3[N]4=Cc2cc2ccccc12)C(C)(C)C)C(C)(C)C.[Co]123([OH]CC)Oc4c(c5c(cc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)cccc5)c1c2O[Co]34Oc5c(cc(cc5C=[N]3[C@@H]3CCCC[C@H]3[N]4=Cc2cc2ccccc12)C(C)(C)C)C(C)(C)C
• Title of publication: Enantioselective Polymerization of Epoxides: A Highly Active and Selective Catalyst for the Preparation of Stereoregular Polyethers and Enantiopure Epoxides
• Authors of publication: Wataru Hirahata; Renee M. Thomas; Emil B. Lobkovsky; Geoffrey W. Coates
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17658 - 17659
• a: 11.6797 ± 0.0011 Å
• b: 32.209 ± 0.003 Å
• c: 33.262 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12513 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No