Information card for entry 7227027

Structure parameters

• Formula: C23 H30 N3 O2 S
• Calculated formula: C23 H30 N3 O2 S
• Title of publication: Approach to Thiazole Containing Thiazole-Containing Tetrahydropyridines via Aza‒Rauhut‒Currier Reaction and Their Potent Biological Fungicidal and Insecticidal Activity
• Authors of publication: Zhu, Yujie; Guo, Xiaofeng; Fan, Zhijin; Chen, Lai; Ma, Liu Yong; Wang, Hai-Xia; Wei, Yu; Xu, Xuan-Ming; Lin, Jianping; Bakulev, Vasiliy Alekseevich
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.259 ± 0.0006 Å
• b: 10.642 ± 0.0008 Å
• c: 11.9099 ± 0.0006 Å
• α: 68.806 ± 0.008°
• β: 64.658 ± 0.007°
• γ: 77.909 ± 0.009°
• Cell volume: 1093.35 ± 0.14 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No