Information card for entry 4038538

Structure parameters

• Formula: C26 H18 N4 Se
• Calculated formula: C26 H18 N4 Se
• Title of publication: Temperature-Controlled Chalcogenation and Chalcogenocyanation of Imidazopyridines in Water under Transition Metal-Free Conditions.
• Authors of publication: Zhu, Yu-Shen; Xue, Yuting; Liu, Wannian; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 12.3346 ± 0.0004 Å
• b: 13.865 ± 0.0005 Å
• c: 12.6601 ± 0.0004 Å
• α: 90°
• β: 102.552 ± 0.003°
• γ: 90°
• Cell volume: 2113.37 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0564
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No