Information card for entry 4118578

Structure parameters

• Formula: C76 H104 B4 Li4 O20
• Calculated formula: C76 H104 B4 Li4 O20
• Title of publication: Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst
• Authors of publication: Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 14314 - 14317
• a: 47.51 ± 0.007 Å
• b: 17.784 ± 0.003 Å
• c: 19.386 ± 0.003 Å
• α: 90°
• β: 92.437 ± 0.003°
• γ: 90°
• Cell volume: 16365 ± 4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1608
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No