Information card for entry 4118673

Structure parameters

• Formula: C94 H122 Li4 N4
• Calculated formula: C94 H122 Li4 N4
• Title of publication: Unique Radical Dearomatization and Two-Electron Reduction of a Redox-Active Ligand
• Authors of publication: Daniel A. Evans; Alan H. Cowley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15672 - 15675
• a: 12.916 ± 0.002 Å
• b: 13.32 ± 0.003 Å
• c: 25.385 ± 0.005 Å
• α: 100.698 ± 0.009°
• β: 99.299 ± 0.01°
• γ: 105.796 ± 0.009°
• Cell volume: 4024 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No