Information card for entry 4026844

Structure parameters

• Common name: (Diethyl ether)tris(tetrahydrofuran)lithium (diethyl ether)lithium tris[(4,4'-bis(1,1- dimethylethyl)biphenyl-2,2'-diyl]zirconate(IV) (diethyl ether) hemisolvate
• Formula: C82 H121 Li2 O5.5 Zr
• Calculated formula: C82 H121 Li2 O5.5 Zr
• Title of publication: t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons
• Authors of publication: Bharat Kumar; Christoph E. Strasser; Benjamin T. King
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 311 - 316
• a: 24.3175 ± 0.0005 Å
• b: 22.5604 ± 0.0005 Å
• c: 27.6744 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15182.5 ± 0.6 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No