Information card for entry 4035914

Structure parameters

• Formula: C25 H16 F3 N
• Calculated formula: C25 H16 F3 N
• SMILES: FC(F)(F)C1=Cc2ccccc2/C1=C(/n1c2ccccc2cc1)c1ccccc1
• Title of publication: Palladium-Catalyzed Tandem Carbocyclization and Hetroarylation for the Synthesis of 2-(Trifluoromethyl)indenylmethyleneindoles.
• Authors of publication: Zhang, Tao; Chen, Fan; Zhang, Xiao-Hong; Qian, Peng-Cheng; Zhang, Xing-Guo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 1
• Pages of publication: 307 - 313
• a: 19.469 ± 0.01 Å
• b: 9.394 ± 0.005 Å
• c: 20.403 ± 0.011 Å
• α: 90°
• β: 92.166 ± 0.009°
• γ: 90°
• Cell volume: 3729 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0717
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No