Information card for entry 1505487

Structure parameters

• Formula: C67.5 H105 Co F6 N2 O5 Sb Si2
• Calculated formula: C67.48 H105.96 Co F6 N2 O4.87 Sb Si2
• SMILES: C1c2c(c(cc(c2)C(C)(C)C)[Si](CC(C)C)(CC(C)C)CC(C)C)O[Co]23([N]=1[C@H](c1ccccc1)[C@@H](c1ccccc1)[N]2=Cc1c(c(cc(c1)C(C)(C)C)[Si](CC(C)C)(CC(C)C)CC(C)C)O3)[OH2].CCOCC.CCOCC.F[Sb](F)(F)(F)(F)[F-]
• Title of publication: Highly enantioselective carbonyl-ene reactions catalyzed by a hindered silyl-salen-cobalt complex.
• Authors of publication: Hutson, Gerri E.; Dave, Apurva H.; Rawal, Viresh H.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 3869 - 3872
• a: 10.909 ± 0.003 Å
• b: 14.832 ± 0.004 Å
• c: 22.953 ± 0.006 Å
• α: 90°
• β: 99.361 ± 0.004°
• γ: 90°
• Cell volume: 3664.4 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No