Information card for entry 4116161

Structure parameters

• Formula: C25 H40 Cl2 Cu F12 N2 O6 Sb2
• Calculated formula: C25 H42 Cl2 Cu F12 N2 O6 Sb2
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Cu]12([O]=C(C(C(=[O]2)OC)=CC)OC)[N]2=C(OC[C@@H]2C(C)(C)C)C(C)(C2OC[C@@H](=[N]12)C(C)(C)C)C.[F-][Sb](F)(F)(F)(F)F.ClCCl
• Title of publication: Enantioselective Lewis Acid Catalyzed Michael Reactions of Alkylidene Malonates. Catalysis by C2-Symmetric Bis(oxazoline) Copper(II) Complexes in the Synthesis of Chiral, Differentiated Glutarate Esters
• Authors of publication: David A. Evans; Tomislav Rovis; Marisa C. Kozlowski; C. Wade Downey; Jason S. Tedrow
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 9134 - 9142
• a: 13.8276 ± 0.0007 Å
• b: 10.7023 ± 0.0005 Å
• c: 14.6248 ± 0.0007 Å
• α: 90°
• β: 112.289 ± 0.001°
• γ: 90°
• Cell volume: 2002.57 ± 0.17 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1357
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.2422
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No