Information card for entry 1576341

Structure parameters

• Formula: C42 H63 N O3
• Calculated formula: C42 H63 N O3
• Title of publication: A 4,4',4''-Nitrilotriphenoxyl Radical Derived from Yang's Biradical
• Authors of publication: Hong, Qiong-Yan; Huang, Bin; Niu, Yan-Fei; Wang, Cui-Hong; Zhao, Xiao-li; Yang, Hai-Bo; Shi, Xueliang
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 15.8786 ± 0.0007 Å
• b: 15.8786 ± 0.0007 Å
• c: 17.1045 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3734.8 ± 0.3 ų
• Cell temperature: 172 ± 1 K
• Ambient diffraction temperature: 172 ± 1 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No