Information card for entry 7124850

Structure parameters

• Common name: PB-3-33
• Formula: C32 H64 B Li O8
• Calculated formula: C32 H64 B Li O8
• Title of publication: The copper-catalysed Suzuki-Miyaura coupling of alkylboron reagents: disproportionation of anionic (alkyl)(alkoxy)borates to anionic dialkylborates prior to transmetalation.
• Authors of publication: Basnet, Prakash; Thapa, Surendra; Dickie, Diane A.; Giri, Ramesh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 74
• Pages of publication: 11072 - 11075
• a: 10.6111 ± 0.0003 Å
• b: 22.4729 ± 0.0006 Å
• c: 14.576 ± 0.0004 Å
• α: 90°
• β: 92.676 ± 0.002°
• γ: 90°
• Cell volume: 3472.03 ± 0.17 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No