Information card for entry 7160911

Structure parameters

• Formula: C25 H26 N4 Se
• Calculated formula: C25 H26 N4 Se
• Title of publication: Regioselective β-organoseleno/α-,N2-tetrazole addition to alkenes
• Authors of publication: Zhu, Li-Li; Tian, Lifang; Zhang, Zijian; Li, Qinying; Tian, Yingying; Han, Xiaofeng; Li, Jiawei; Liu, Guang-Lu; Zhang, Hui; Wang, Yahui
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 10.8056 ± 0.0001 Å
• b: 9.2147 ± 0.0001 Å
• c: 23.0221 ± 0.0003 Å
• α: 90°
• β: 102.849 ± 0.001°
• γ: 90°
• Cell volume: 2234.92 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0321
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No