Information card for entry 7160730

Structure parameters

• Formula: C19 H15 N O2 S
• Calculated formula: C19 H15 N O2 S
• Title of publication: Tunable regiodivergent C-H alkenylation of 2-arylthiazoles <i>via</i> catalyst control.
• Authors of publication: Wan, Guibin; Wang, Cheng; Zhou, Pengfei; Tang, Yi; Xu, Dingyi; Liang, Taoyuan; Wei, Zongwu; Zhang, Zhuan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 39
• Pages of publication: 8961 - 8966
• a: 14.5392 ± 0.0014 Å
• b: 5.8693 ± 0.0006 Å
• c: 18.7308 ± 0.0016 Å
• α: 90°
• β: 92.041 ± 0.009°
• γ: 90°
• Cell volume: 1597.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.1365
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No