Information card for entry 1506322

Structure parameters

• Formula: C22 H30 Cl2 Cu N6 O2
• Calculated formula: C22 H30 Cl2 Cu N6 O2
• SMILES: [Cu]1(Cl)(Cl)[N]2=C(OC[C@@H]2C(C)C)N(C2OC[C@@H]([N]1=2)C(C)C)Cc1nnn(c1)Cc1ccccc1
• Title of publication: Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.
• Authors of publication: Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 26
• Pages of publication: 6099 - 6102
• a: 9.8623 ± 0.0007 Å
• b: 10.1661 ± 0.0008 Å
• c: 24.4608 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2452.5 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No