Information card for entry 1549815

Structure parameters

• Formula: C61 H19 B2 F30 O2
• Calculated formula: C61 H19 B2 F30 O2
• Title of publication: The special role of B(C₆F₅)₃ in the single electron reduction of quinones by radicals.
• Authors of publication: Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 41
• Pages of publication: 8011 - 8018
• a: 13.791 ± 0.0012 Å
• b: 14.0959 ± 0.0013 Å
• c: 18.1102 ± 0.0014 Å
• α: 109.569 ± 0.002°
• β: 109.658 ± 0.002°
• γ: 90.652 ± 0.003°
• Cell volume: 3093.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.13
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No