Information card for entry 4120915

Structure parameters

• Formula: C43 H26 Al F36 N O4
• Calculated formula: C43 H26 Al F36 N O4
• Title of publication: One-Electron Oxidation of an Organic Molecule by B(C6F5)3; Isolation and Structures of Stable Non-para-substituted Triarylamine Cation Radical and Bis(triarylamine) Dication Diradicaloid
• Authors of publication: Xin Zheng; Xingyong Wang; Yunfan Qiu; Yuantao Li; Chenkun Zhou; Yunxia Sui; Yizhi Li; Jing Ma; Xinping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 14912 - 14915
• a: 14.0371 ± 0.001 Å
• b: 17.1155 ± 0.0017 Å
• c: 21.2159 ± 0.0015 Å
• α: 90°
• β: 107.474 ± 0.003°
• γ: 90°
• Cell volume: 4861.9 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No