Information card for entry 1576176

Structure parameters

• Formula: C48 H71 B2 Li O4 Si
• Calculated formula: C48 H71 B2 Li O4 Si
• 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: 11.279 ± 0.0006 Å
• b: 14.9402 ± 0.0008 Å
• c: 27.9641 ± 0.0015 Å
• α: 90°
• β: 101.434 ± 0.002°
• γ: 90°
• Cell volume: 4618.7 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No