Information card for entry 7161086

Structure parameters

• Chemical name: (E)-4,4'-(1,2-diphenylethene-1,2-diyl)bis(2,6-di-tert-butylphenol)
• Formula: C42 H52 O2
• Calculated formula: C42 H52 O2
• Title of publication: Pyridine-boryl radicals-mediated reductive homocoupling of para-quinone methides
• Authors of publication: Wang, Yan-Bo; Cui, Yan-Zhao; Li, He; Liu, Huiyi; Yuan, Hao-Qi; Zhou, Hao-Tian; Wang, Xiao-Sai
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 29.342 ± 0.002 Å
• b: 10.293 ± 0.0008 Å
• c: 11.6592 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3521.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No