Information card for entry 1576816

Structure parameters

• Formula: C36 H30 N2 S
• Calculated formula: C36 H28 N2 S
• 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, Ming-Cen; Chen, Hong-Ming; Lin, Mei-Jin
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 9297 - 9310
• a: 8.9366 ± 0.0005 Å
• b: 11.8199 ± 0.0006 Å
• c: 13.6415 ± 0.0006 Å
• α: 107.883 ± 0.004°
• β: 93.526 ± 0.004°
• γ: 102.12 ± 0.004°
• Cell volume: 1328.42 ± 0.12 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: 0.0901
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No