Information card for entry 7226193

Structure parameters

• Formula: C23 H16 N4 S2
• Calculated formula: C23 H16 N4 S2
• 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: 11.059 ± 0.0006 Å
• b: 9.0657 ± 0.0005 Å
• c: 20.5704 ± 0.0011 Å
• α: 90°
• β: 103.8 ± 0.002°
• γ: 90°
• Cell volume: 2002.81 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0357
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No