Information card for entry 7156666

Structure parameters

• Formula: C16 H8 F4 N4 S
• Calculated formula: C16 H8 F4 N4 S
• Title of publication: A silver(i)-catalyzed cascade bicyclization strategy for synthesis of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines.
• Authors of publication: Miao, Jiankang; Zhang, Yahui; Sang, Xiaoyan; Hao, Wenyan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2336 - 2340
• a: 15.2261 ± 0.0008 Å
• b: 4.4752 ± 0.0003 Å
• c: 22.3479 ± 0.0012 Å
• α: 90°
• β: 102.846 ± 0.006°
• γ: 90°
• Cell volume: 1484.67 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.046
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No