Information card for entry 4115414

Structure parameters

• Common name: [(18-crown-6)K(OCHCH2)].1/2(C6H6)
• Formula: C17 H30 K O7
• Calculated formula: C17 H30 K O7
• Title of publication: The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts
• Authors of publication: Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 189 - 190
• a: 26.6844 ± 0.0006 Å
• b: 8.5157 ± 0.0003 Å
• c: 22.0803 ± 0.0005 Å
• α: 90°
• β: 125.751 ± 0.002°
• γ: 90°
• Cell volume: 4072 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No