Information card for entry 1576395

Structure parameters

• Formula: C20 H11 N3 S
• Calculated formula: C20 H11 N3 S
• Title of publication: Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules
• Authors of publication: Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 8.3807 ± 0.0005 Å
• b: 8.6976 ± 0.0007 Å
• c: 12.0564 ± 0.0008 Å
• α: 96.124 ± 0.006°
• β: 98.436 ± 0.006°
• γ: 115.37 ± 0.007°
• Cell volume: 771.21 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No