Information card for entry 1576815

Structure parameters

• Formula: C12 H8.5 F N0.5
• Calculated formula: C12 H8.5 F N0.5
• Title of publication: Color-Tunable Hot-Exciton Organic Glassy Supramolecular Scintillators Enabled by Host-Guest Co-Melting
• Authors of publication: Ye, Yuan-Ji; Wei, Xiang-Long; Yang, Xi; Chen, Yu-Dong; Weng, Mingcen; Chen, Hong-Ming; Lin, Mei-Jin
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 13.963 ± 0.002 Å
• b: 8.3017 ± 0.0012 Å
• c: 16.541 ± 0.003 Å
• α: 90°
• β: 108.509 ± 0.017°
• γ: 90°
• Cell volume: 1818.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1012
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No