Information card for entry 7161087

Structure parameters

• Chemical name: 4,4'-(1,2-diphenylethane-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: 11.4985 ± 0.0016 Å
• b: 11.7455 ± 0.0017 Å
• c: 14.074 ± 0.002 Å
• α: 79.778 ± 0.005°
• β: 77.092 ± 0.005°
• γ: 77.618 ± 0.005°
• Cell volume: 1792.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No