Information card for entry 7135808

Structure parameters

• Formula: C20 H16 Br Cl I N O
• Calculated formula: C20 H16 Br Cl I N O
• Title of publication: Dihalogenation/Cyclization Reactions of Bicyclo[1.1.0]butane-1-carboxamide: Rapid Access to Dihalogenated Spiro[cyclobutane-1,3'-quinolin]-2'-one Derivatives
• Authors of publication: Liu, Jiyao; Zhu, Junyi; Yao, Qiru; Yang, Jiang; Chen, Xingyue; Liu, Xiaoqin; Rong, Liangce
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 10.0394 ± 0.001 Å
• b: 10.3187 ± 0.001 Å
• c: 18.7993 ± 0.0019 Å
• α: 90°
• β: 96.115 ± 0.005°
• γ: 90°
• Cell volume: 1936.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No