Information card for entry 7124851

Structure parameters

• Formula: C28 H56 B2 Li2 O6
• Calculated formula: C28 H56 B2 Li2 O6
• 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: 8.3308 ± 0.0004 Å
• b: 9.3831 ± 0.0005 Å
• c: 10.3351 ± 0.0005 Å
• α: 98.43 ± 0.002°
• β: 106.326 ± 0.002°
• γ: 90.671 ± 0.002°
• Cell volume: 765.74 ± 0.07 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No