Information card for entry 7251022

Structure parameters

• Formula: C16 H18 F2 N2
• Calculated formula: C16 H18 F2 N2
• Title of publication: Different paths lead to the same destination: a highly efficient TMSOTf/HFIP catalytic system for large-scale synthesis of fluoroalkyl-containing 4,4′-methylenedianiline (MDA) monomers
• Authors of publication: Wu, Ziyan; Fang, Guodong; Li, Xindi; Wu, Yuhao; Li, Jinshan; Feng, Yan; Xie, Jialin; Zhou, Xueqing; Wen, Zhenchang; Jia, Chunman
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 43
• Pages of publication: 13751 - 13761
• a: 12.3495 ± 0.0002 Å
• b: 7.3054 ± 0.0001 Å
• c: 15.1869 ± 0.0002 Å
• α: 90°
• β: 93.228 ± 0.001°
• γ: 90°
• Cell volume: 1367.96 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No