Information card for entry 4116162

Structure parameters

• Formula: C33 H34 Cu F12 N2 O6 Sb
• Calculated formula: C33 H34 Cu F12 N2 O6 Sb2
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Sb](F)([F][Cu]12([O]=C(C(=Cc3ccccc3)C(=[O]1)OC)OC)[N]1[C@@H](c3ccccc3)COC=1C(C)(C)C1=[N]2[C@H](CO1)c1ccccc1)(F)(F)(F)F
• 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: 10.3851 ± 0.0006 Å
• b: 14.4993 ± 0.0009 Å
• c: 27.0817 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4077.9 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.1274
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No