Information card for entry 7112166

Structure parameters

• Formula: C37 H40 Cl2 Cu N4 O2
• Calculated formula: C37 H40 Cl2 Cu N4 O2
• Title of publication: Highly enantioselective hydroamination to six-membered rings by heterobimetallic catalysts
• Authors of publication: Lenard Hussein; Nibadita Purkait; Mustafa Biyikal; Eugenia Tausch; Peter W. Roesky; Siegfried Blechert
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3862
• a: 30.212 ± 0.002 Å
• b: 7.0191 ± 0.0006 Å
• c: 16.0347 ± 0.0015 Å
• α: 90°
• β: 90.159 ± 0.008°
• γ: 90°
• Cell volume: 3400.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No