Information card for entry 7159258

Structure parameters

• Formula: C19 H18 F3 N S
• Calculated formula: C19 H18 F3 N S
• Title of publication: Modular synthesis of fluorinated 2<i>H</i>-thiophenes <i>via</i> [4 + 1] cyclization of enaminothiones.
• Authors of publication: Zhang, Xinyu; Zhang, Jinli; Chen, Jie; Zhou, Banghua; Zhang, Jian; Chen, Shunhong; Wu, Jian; Jiang, Yaojia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3345 - 3349
• a: 16.8319 ± 0.0012 Å
• b: 15.3118 ± 0.0013 Å
• c: 6.5989 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1700.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No