Information card for entry 1573846

Structure parameters

• Formula: C57 H68 Br Cu N4
• Calculated formula: C57 H68 Br Cu N4
• Title of publication: Multiligand-enabled, copper-catalyzed Hiyama coupling of arylsilanes with unactivated secondary alkyl halides: reaction development and mechanistic insights.
• Authors of publication: Zhou, Jiajing; Zhang, Zhiqiang; Cao, Yan; Xie, Weilong
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 5109 - 5117
• a: 12.3872 ± 0.0019 Å
• b: 15.6834 ± 0.0019 Å
• c: 16.433 ± 0.003 Å
• α: 90.934 ± 0.007°
• β: 111.881 ± 0.007°
• γ: 110.488 ± 0.005°
• Cell volume: 2735.3 ± 0.8 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No