Information card for entry 7159092

Structure parameters

• Formula: C26 H21 F2 N3 O
• Calculated formula: C26 H21 F2 N3 O
• 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: 9.3177 ± 0.0001 Å
• b: 11.8518 ± 0.0001 Å
• c: 19.9301 ± 0.0002 Å
• α: 96.903 ± 0.001°
• β: 93.425 ± 0.001°
• γ: 106.005 ± 0.001°
• Cell volume: 2090.29 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No