Information card for entry 1506511

Structure parameters

• Formula: C28 H36 Cl2 Cu N2 O4
• Calculated formula: C28 H36 Cl2 Cu N2 O4
• SMILES: [Cu]1(Cl)(Cl)[n]2c3[C@H]4OC(O[C@H]4Cc3c(C)cc2c2[n]1c1c(c(c2)C)C[C@@H]2OC(O[C@H]12)(CC)CC)(CC)CC
• Title of publication: Enantioselective Friedel-Crafts alkylation reactions catalyzed by a chiral nonracemic C2-symmetric 2,2'-bipyridyl copper(II) complex.
• Authors of publication: Lyle, Michael P. A.; Draper, Neil D.; Wilson, Peter D.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 901 - 904
• a: 8.7438 ± 0.0006 Å
• b: 7.6589 ± 0.0003 Å
• c: 21.3498 ± 0.0009 Å
• α: 90°
• β: 90.022 ± 0.003°
• γ: 90°
• Cell volume: 1429.75 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.148
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1741
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No