Information card for entry 1576814

Structure parameters

• Formula: C3.71 H2.29 Br0.57 Cl0.02 O0.02
• Calculated formula: C3.71429 H2.28571 Br0.571429
• 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: 20.506 ± 0.003 Å
• b: 9.89 ± 0.0013 Å
• c: 24.23 ± 0.004 Å
• α: 90°
• β: 91.1 ± 0.004°
• γ: 90°
• Cell volume: 4913 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.1297
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No