Information card for entry 1547142

Structure parameters

• Formula: C44 H49 B N4
• Calculated formula: C44 H49 B N4
• SMILES: B1(N(c2c(C)cc(C)cc2C)C(C(N1c1c(C)cc(C)cc1C)=Nc1c(C)cc(C)cc1C)=Nc1c(C)cc(C)cc1C)c1ccccc1
• Title of publication: Crystalline Boron-linked Tetraaminoethylene Radical Cations
• Authors of publication: Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 21.931 ± 0.003 Å
• b: 12.2382 ± 0.0017 Å
• c: 14.94 ± 0.002 Å
• α: 90°
• β: 108.564 ± 0.004°
• γ: 90°
• Cell volume: 3801.2 ± 0.9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No