Information card for entry 1576179

Structure parameters

• Formula: C36 H45 B2 Li O
• Calculated formula: C36 H45 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: 23.9471 ± 0.0007 Å
• b: 15.2701 ± 0.0005 Å
• c: 10.1658 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3717.4 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No