Information card for entry 4131585

Structure parameters

• Common name: 7
• Formula: C81 H121 Cu O9 P2 Si2
• Calculated formula: C81 H121 Cu O9 P2 Si2
• Title of publication: Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.
• Authors of publication: Xi, Yumeng; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 36
• Pages of publication: 12758 - 12772
• a: 19.7038 ± 0.0015 Å
• b: 26.008 ± 0.002 Å
• c: 35.273 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18076 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0969
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No