Information card for entry 7126873

Structure parameters

• Common name: bridged-tetra-aryl-p-quinodimethane (BTAQ) radical cation
• Chemical name: 1?+?DDQ?‒
• Formula: C59 H54 Cl4 N4 O7
• Calculated formula: C59 H54 Cl4 N4 O7
• Title of publication: A remarkably air-stable quinodimethane radical cation.
• Authors of publication: Harada, Mei; Tanioka, Masaru; Muranaka, Atsuya; Aoyama, Tetsuya; Kamino, Shinichiro; Uchiyama, Masanobu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 66
• Pages of publication: 9565 - 9568
• a: 7.3092 ± 0.0002 Å
• b: 18.6978 ± 0.0006 Å
• c: 20.9767 ± 0.0005 Å
• α: 114.686 ± 0.003°
• β: 94.742 ± 0.002°
• γ: 99.943 ± 0.003°
• Cell volume: 2527.02 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No