Information card for entry 4026381

Structure parameters

• Formula: C16 H25 Cu N3 O6
• Calculated formula: C16 H25 Cu N3 O6
• SMILES: [Cu]1(OC(=O)C)(OC(=O)C)([NH]2[C@H](C(=O)N[C@]2(C)c2[n]1cccc2)C(C)C)[OH2]
• 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: 6.914 ± 0.0003 Å
• b: 7.7171 ± 0.0005 Å
• c: 9.616 ± 0.0003 Å
• α: 89.63 ± 0.004°
• β: 71.921 ± 0.003°
• γ: 87.634 ± 0.004°
• Cell volume: 487.31 ± 0.04 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No