Information card for entry 1576401

Structure parameters

• Formula: C43 H26 N4 S3
• Calculated formula: C43 H26 N4 S3
• 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: 17.0229 ± 0.0008 Å
• b: 15.4122 ± 0.0007 Å
• c: 27.0795 ± 0.0011 Å
• α: 90°
• β: 108.157 ± 0.002°
• γ: 90°
• Cell volume: 6750.8 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1828
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.289
• Weighted residual factors for all reflections included in the refinement: 0.3414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No