Information card for entry 1506323

Structure parameters

• Formula: C56 H78 Cl4 Cu2 N18 O21
• Calculated formula: C56 H78 Cl4 Cu2 N18 O21
• 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: 12.0986 ± 0.0018 Å
• b: 12.7138 ± 0.0018 Å
• c: 13.3209 ± 0.0017 Å
• α: 77.309 ± 0.016°
• β: 81.44 ± 0.016°
• γ: 74.732 ± 0.017°
• Cell volume: 1919.4 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No