Information card for entry 7251054

Structure parameters

• Chemical name: 1
• Formula: C30 H22 Br2 O4 S
• Calculated formula: C30 H22 Br2 O4 S
• Title of publication: Design, synthesis and acaricidal activity of tetrahydrothiophene derivatives against Psoroptes cuniculi
• Authors of publication: Chen, Dongdong; Wang, Yan; Wu, Yujun; Yu, Qiaoqiao; Wang, Yunhan; Zheng, Junyao; Ying, Zhong; Hou, Changhui
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 39028 - 39036
• a: 11.8305 ± 0.0003 Å
• b: 17.7949 ± 0.0004 Å
• c: 12.865 ± 0.0004 Å
• α: 90°
• β: 103.504 ± 0.003°
• γ: 90°
• Cell volume: 2633.5 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0846
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No