Information card for entry 1561346

Structure parameters

• Formula: C29 H21 F3 N2
• Calculated formula: C29 H21 F3 N2
• Title of publication: Radical-based functionalization-oriented construction: rapid assembly of azaarene-substituted highly functionalized pyrroles
• Authors of publication: Hu, Weigao; Zhan, Qiangqiang; Zhou, Hongwei; Cao, Shanshan; Jiang, Zhiyong
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 9.4838 ± 0.0004 Å
• b: 10.8493 ± 0.0005 Å
• c: 22.4754 ± 0.001 Å
• α: 90°
• β: 94.262 ± 0.004°
• γ: 90°
• Cell volume: 2306.16 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0892
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No