Information card for entry 4119822

Structure parameters

• Formula: C51 H62 Br2 Cu N2 O2
• Calculated formula: C51 H62 Br2 Cu N2 O2
• Title of publication: Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes
• Authors of publication: Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 7851 - 7854
• a: 22.604 ± 0.003 Å
• b: 22.604 ± 0.003 Å
• c: 17.635 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7803 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No