Information card for entry 7160592

Structure parameters

• Formula: C24 H18
• Calculated formula: C24 H18
• Title of publication: Iron-catalyzed regioselective reductive cyclotrimerization of alkynyl bromides to 1,2,4-substituted arenes and D₃-arenes.
• Authors of publication: Zhang, Xin; Luo, Yuhang; Zhao, Xinjie; Xiao, Tiebo; Jiang, Yubo; Qin, Guiping; Wei, Yubo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 27
• Pages of publication: 6551 - 6556
• a: 10.3109 ± 0.0006 Å
• b: 17.7703 ± 0.0011 Å
• c: 18.358 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3363.7 ± 0.3 ų
• Cell temperature: 142 ± 50 K
• Ambient diffraction temperature: 142 ± 50 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No