Information card for entry 4021070

Structure parameters

• Formula: C44 H34 Co F6 N O3 Pd
• Calculated formula: C44 H34 Co F6 N O3 Pd
• SMILES: [Pd]12([c]34[Co]56789%10([cH]3[cH]5[cH]6[c]47C3OC[C@@H]([N]2=3)C(C)C)[C]2(=[C]%10([C]9(=[C]82c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F
• Title of publication: Monomeric Cobalt Oxazoline Palladacycles (COP). Useful Catalysts for Catalytic Asymmetric Rearrangement of Allylic Trichloroacetimidates
• Authors of publication: Stefan F. Kirsch; Larry E. Overman; Mary P. Watson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8101 - 8104
• a: 11.4413 ± 0.0005 Å
• b: 11.4413 ± 0.0005 Å
• c: 50.149 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5685.2 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No