Information card for entry 1576178

Structure parameters

• Formula: C35 H43 B2 Li O
• Calculated formula: C35 H43 B2 Li O
• 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: 8.224 ± 0.004 Å
• b: 15.74 ± 0.008 Å
• c: 12.282 ± 0.006 Å
• α: 90°
• β: 102.199 ± 0.016°
• γ: 90°
• Cell volume: 1554 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2282
• Weighted residual factors for all reflections included in the refinement: 0.253
• 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: No
• Has Fobs: No