Information card for entry 4102937

Structure parameters

• Formula: C44 H60.5 Br2 Cl4 N4 O2.5
• Calculated formula: C44 H61 Br2 Cl3.7 N4 O1.7
• Title of publication: Enantioselective Construction of Spiroindolenines by Ir-Catalyzed Allylic Alkylation Reactions
• Authors of publication: Qing-Feng Wu; Hu He; Wen-Bo Liu; Shu-Li You
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11418 - 11419
• a: 15.0114 ± 0.0019 Å
• b: 26.305 ± 0.003 Å
• c: 24.52 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9682 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.263
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.659
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No