Information card for entry 7226192

Structure parameters

• Formula: C23 H16 N4 S2
• Calculated formula: C23 H16 N4 S2
• SMILES: s1ccc(c2nc(N(c3ccccc3)c3ccccc3)nc(n2)c2ccsc2)c1
• Title of publication: Sigma-spacer Regulated Thiophenyl Triazine Conjugates: Synthesis, Crystal, Electronic and Luminescent Properties
• Authors of publication: Zhu, Zhuangli; Shao, Ersha; Xu, Shan; Sun, Huaming; Zhang, Guofang; Xie, Zunyuan; Zhang, Wei-Qiang; Gao, Ziwei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.0027 ± 0.0013 Å
• b: 9.2037 ± 0.001 Å
• c: 20.727 ± 0.003 Å
• α: 90°
• β: 104.57 ± 0.004°
• γ: 90°
• Cell volume: 2031.4 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.0895
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1986
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No