Information card for entry 1571744

Structure parameters

• Chemical name: 123
• Formula: C17 H24 B10 N2 O3
• Calculated formula: C17 H24 B10 N2 O3
• Title of publication: A Pd-catalyzed route to carborane-fused boron heterocycles.
• Authors of publication: Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 27
• Pages of publication: 10392 - 10401
• a: 9.712 ± 0.002 Å
• b: 11.259 ± 0.003 Å
• c: 19.629 ± 0.003 Å
• α: 90°
• β: 90.43 ± 0.013°
• γ: 90°
• Cell volume: 2146.3 ± 0.8 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• 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: 0.0922
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No