Information card for entry 7159091

Structure parameters

• Formula: C29 H24 F3 N3
• Calculated formula: C29 H24 F3 N3
• SMILES: FC(F)(F)C(c1cn(c2c1cccc2)C)(c1c2c(n(c1)C)cccc2)c1cn(c2c1cccc2)C
• Title of publication: The B(C₆F₅)₃·H₂O promoted synthesis of fluoroalkylated 3,3',3''-trisindolylmethanes from fluorocarboxylic acids and indoles.
• Authors of publication: Xu, Xin; Gao, Dandan; Wang, Jiahua; Tang, Xiang-Ying; Wang, Long
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1478 - 1486
• a: 8.86737 ± 0.00003 Å
• b: 15.02535 ± 0.00006 Å
• c: 17.36072 ± 0.00007 Å
• α: 90°
• β: 91.6634 ± 0.0003°
• γ: 90°
• Cell volume: 2312.09 ± 0.015 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No