Information card for entry 4022153

Structure parameters

• Chemical name: 18-Crown-6-bis(tetrahydrofurano)potassium 1,2,3,4,7,8,9,10-octahydro-1,1,4,4,7,7,10,10-octamethyltetracene tetrahydrofuran solvate
• Formula: C58 H100 K O11
• Calculated formula: C58 H100 K O11
• Title of publication: The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons
• Authors of publication: Sergiy V. Rosokha; Jay K. Kochi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 9357 - 9365
• a: 22.841 ± 0.006 Å
• b: 12.651 ± 0.003 Å
• c: 21.765 ± 0.009 Å
• α: 90°
• β: 109.32 ± 0.03°
• γ: 90°
• Cell volume: 5935 ± 3 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: 0.1791
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No