Information card for entry 7248764

Structure parameters

• Formula: C17 H10 F N3 S
• Calculated formula: C17 H10 F N3 S
• Title of publication: Light-assisted Green and Efficient Construction of Thiadiazole/ Selenadiazole Derivatives
• Authors of publication: Wen, Changting; Sun, Guojin; Liu, Lang; Zhang, Jun; She, Mengyao; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli
• Journal of publication: Green Chemistry
• Year of publication: 2024
• a: 9.14 ± 0.002 Å
• b: 15.767 ± 0.004 Å
• c: 9.982 ± 0.002 Å
• α: 90°
• β: 101.097 ± 0.005°
• γ: 90°
• Cell volume: 1411.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1314
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No