Information card for entry 4120914

Structure parameters

• Formula: C43 H27 Al F36 N O4
• Calculated formula: C43 H27 Al F36 N O4
• SMILES: [Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.c12c3cccc1C(c1cccc4c1N2c1c(C4(C)C)cccc1C3(C)C)(C)C
• 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: 10.8076 ± 0.0013 Å
• b: 14.3904 ± 0.0017 Å
• c: 17.7688 ± 0.0015 Å
• α: 87.935 ± 0.002°
• β: 88.731 ± 0.003°
• γ: 68.774 ± 0.002°
• Cell volume: 2574.2 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No