Information card for entry 4111291

Structure parameters

• Common name: 2,5-DBBQ K (THF)4
• Chemical name: Potassium 2,5-di-tert-butyl-benzoquinonide, tetrahydrofuran solvate
• Formula: C30 H52 K O6
• Calculated formula: C30 H52 K O6
• Title of publication: Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV-vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs
• Authors of publication: Jian-Ming Lü; Sergiy V. Rosokha; Ivan S. Neretin; Jay K. Kochi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16708 - 16719
• a: 7.992 ± 0.007 Å
• b: 10 ± 0.01 Å
• c: 11.384 ± 0.011 Å
• α: 67.94 ± 0.02°
• β: 83.77 ± 0.03°
• γ: 68.12 ± 0.02°
• Cell volume: 781.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1954
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.669
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No