Information card for entry 1576174

Structure parameters

• Formula: C52 H71 B2 Li O4
• Calculated formula: C52 H71 B2 Li O4
• Title of publication: Regioselective C(sp³)-H borylation <i>via</i> a diarylboryl anion surrogate in sp²-sp³ diboranes(5).
• Authors of publication: Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 47
• Pages of publication: 22314 - 22321
• a: 16.357 ± 0.01 Å
• b: 15.629 ± 0.009 Å
• c: 18.879 ± 0.011 Å
• α: 90°
• β: 91.176 ± 0.011°
• γ: 90°
• Cell volume: 4825 ± 5 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No