Information card for entry 4038643

Structure parameters

• Formula: C21 H17 Cl F3 N3
• Calculated formula: C21 H17 Cl F3 N3
• Title of publication: C(sp2)-H Functionalization of Imidazole at C2 and C4-Position via Palladium-Catalyzed Isocyanide Insertion Leading to Indeno[1,2-d]imidazole and Imidazo[1,2-a]indole Derivatives.
• Authors of publication: Ren, Zhi-Lin; Cai, Shuang; Liu, Ying-Ying; Xie, Yin-Qing; Yuan, Ding; Lei, Min; He, Ping; Wang, Long
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.0093 ± 0.0009 Å
• b: 13.7121 ± 0.0017 Å
• c: 17.661 ± 0.002 Å
• α: 90°
• β: 102.821 ± 0.003°
• γ: 90°
• Cell volume: 1891.2 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.1416
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No