Information card for entry 7160943

Structure parameters

• Formula: C15.75 H11 Cl N4 Se
• Calculated formula: C17 H11 Cl N4 Se
• Title of publication: Ruthenium-catalyzed direct C2-H selenylation of (benz)imidazoles.
• Authors of publication: Liu, Dan-Dan; Zou, Chu; Hu, Shu-Ting; Xu, Wen-Jing; Xu, Wan; Keram, Merziya; Xu, Xin; Xu, Zhou; Yuan, Yu-Chao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1247 - 1251
• a: 9.5939 ± 0.0006 Å
• b: 18.5686 ± 0.0011 Å
• c: 17.3143 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3084.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No