Information card for entry 7160956

Structure parameters

• Formula: C29 H22 Br Cl3 N4 O
• Calculated formula: C29 H22 Br Cl3 N4 O
• Title of publication: B(C₆F₅)₃/I₂ co-mediated cascade [4 + 2]/[3 + 2] cyclization to access spiroimidazolines.
• Authors of publication: Qiu, Huanyi; Fang, Jingxi; Guan, Mingyan; Xie, Surong; Chen, Xi; Zhang, Qiuqi; Pan, Zhentao; Ma, Yongmin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 1920 - 1925
• a: 9.348 ± 0.0008 Å
• b: 10.0431 ± 0.0008 Å
• c: 15.9468 ± 0.0013 Å
• α: 80.587 ± 0.003°
• β: 76.524 ± 0.003°
• γ: 87.501 ± 0.003°
• Cell volume: 1436.3 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No