Information card for entry 7161015

Structure parameters

• Formula: C26 H25 F3 N
• Calculated formula: C26 H25 F3 N
• Title of publication: Substrate-Controlled Divergent Synthesis of Substituted Carbazoles through Cascade Reaction of 2-Alkenylndoles with α,β-Unsaturated Ketones
• Authors of publication: Yang, Shizhou; Wang, Mingliang; Jiang, Hong; Wang, Rui; Xing, Yurou; Luo, Shuang; Ding, Qinlin
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 9.0837 ± 0.0002 Å
• b: 10.11921 ± 0.00018 Å
• c: 12.4621 ± 0.0003 Å
• α: 72.752 ± 0.002°
• β: 75.888 ± 0.002°
• γ: 86.8218 ± 0.0017°
• Cell volume: 1060.81 ± 0.04 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No