Information card for entry 4111287

Structure parameters

• Common name: K(Crypt) duroquinone*x THF
• Chemical name: 2,2,2-Cryptand potassium 2,3,5,6-tetramethylbenzoquinonide, tetrahydrofuran solvate
• Formula: C30.8 H53.6 K N2 O8.7
• Calculated formula: C30.8 H53.6 K N2 O8.7
• 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: 11.631 ± 0.008 Å
• b: 11.923 ± 0.007 Å
• c: 13.901 ± 0.011 Å
• α: 93.62 ± 0.07°
• β: 100.27 ± 0.09°
• γ: 103 ± 0.07°
• Cell volume: 1837 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1355
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No