Information card for entry 3000466

Structure parameters

• Formula: C7 H8 N4 S4
• Authors of publication: Boris Shivachev; Vanya Kurteva; Rusi Rusew; Zhanina Petkova
• Journal of publication: To be published in The Journal of Heterocyclic Chemistry
• a: 13.6976 ± 0.0009 Å
• b: 5.612 ± 0.0003 Å
• c: 16.5588 ± 0.0011 Å
• α: 90°
• β: 114.237 ± 0.002°
• γ: 90°
• Cell volume: 1160.69 ± 0.13 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No