Information card for entry 1576344

Structure parameters

• Formula: C58 H96 N2 O3
• Calculated formula: C58 H96 N2 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: 10.2641 ± 0.0004 Å
• b: 26.5484 ± 0.0009 Å
• c: 22.535 ± 0.0009 Å
• α: 90°
• β: 97.544 ± 0.004°
• γ: 90°
• Cell volume: 6087.5 ± 0.4 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.1213
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2411
• Weighted residual factors for all reflections included in the refinement: 0.2691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No