Information card for entry 7160650

Structure parameters

• Formula: C11 H13 Cl N4 Se
• Calculated formula: C11 H13 Cl N4 Se
• Title of publication: The direct synthesis of 5-selenotetrazoles <i>via</i> an electrochemical three-component reaction between isonitriles, diselenides and TMSN₃.
• Authors of publication: Wang, Ruizong; Song, Bin; Zhao, Feng; Gao, Pengxiang; Hu, Bingcheng; Zhang, Chong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 33
• Pages of publication: 7588 - 7592
• a: 7.4939 ± 0.0002 Å
• b: 12.5591 ± 0.0006 Å
• c: 14.7813 ± 0.0006 Å
• α: 90°
• β: 103.142 ± 0.002°
• γ: 90°
• Cell volume: 1354.73 ± 0.09 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No