Information card for entry 7135768

Structure parameters

• Formula: C44 H30 Br4 N4 S2
• Calculated formula: C44 H30 Br4 N4 S2
• Title of publication: Base- Mediated [2+4] Annulation of Benzothiazolium Salts and 2-Aminobenzaldehydes: Selective Synthesis of 2-Amino and 2-Thio- Substituted Quinolines
• Authors of publication: Chen, Jiehao; Li, Jiaqi; Yu, Wanyue; Xiao, Xiangrong; Ren, Weijie; Li, Huanying; Chen, Xiuwen; Zhu, Zhongzhi
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 13.9664 ± 0.0003 Å
• b: 26.9373 ± 0.0005 Å
• c: 10.8779 ± 0.0003 Å
• α: 90°
• β: 99.805 ± 0.002°
• γ: 90°
• Cell volume: 4032.67 ± 0.16 ų
• Cell temperature: 298 ± 0.7 K
• Ambient diffraction temperature: 298 ± 0.7 K
• Number of distinct elements: 5
• 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: 0.0893
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No