Information card for entry 4026380

Structure parameters

• Formula: C17 H29 Cu N3 O7
• Calculated formula: C17 H29 Cu N3 O7
• SMILES: [Cu]1(OC(=O)C)([OH2])([NH]2[C@](NC(=O)[C@@]2(C(C)C)C)(c2[n]1cccc2)C)OC(=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: 7.392 ± 0.0003 Å
• b: 17.8921 ± 0.0013 Å
• c: 8.029 ± 0.0008 Å
• α: 90°
• β: 101.047 ± 0.005°
• γ: 90°
• Cell volume: 1042.23 ± 0.14 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: 0.0624
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No