Information card for entry 4026379

Structure parameters

• Formula: C37 H53 Cu2 N6 O10
• Calculated formula: C30 H43 Cu2 N6 O9
• SMILES: [Cu]123(OC(=O)C)[O]([Cu]4([O]=C5N1[C@@H](N[C@]5(C(C)C)C)c1[n]3cccc1)([n]1c([C@@H]3N4[C@](C(=O)N3)(C(C)C)C)cccc1)[O]2C(=O)C)C(=O)C.O
• Title of publication: Highly Enantioselective Nitroaldol Reactions Catalyzed by Copper(II) Complexes Derived from Substituted 2-(Pyridin-2-yl)imidazolidin-4-one Ligands
• Authors of publication: Illia Panov; Pavel Drabina; Zdeňka Padělková; Petr Šimůnek; Miloš Sedlák
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 4787 - 4793
• a: 13.683 ± 0.001 Å
• b: 13.855 ± 0.001 Å
• c: 21.7621 ± 0.0009 Å
• α: 90°
• β: 102.485 ± 0.006°
• γ: 90°
• Cell volume: 4028.1 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No