Information card for entry 1575568

Structure parameters

• Formula: C43 H28 N2 O S
• Calculated formula: C43 H28 N2 O S
• Title of publication: Molecular design of sensitizers for high-efficiency OLEDs: exploration of energy transfer dynamics.
• Authors of publication: Liu, Xiao; Wen, Xue-Liang; Zhou, Yang; Tang, Chao; Tang, Diandong; Wang, Qian; Shi, Yibo; Liu, Lin; Sun, Wei; Feng, Kai; Fang, Wei-Hai; Qiao, Juan; Shen, Lin; Chen, Xuebo
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 17304 - 17315
• a: 8.8906 ± 0.0002 Å
• b: 9.0722 ± 0.0002 Å
• c: 10.1623 ± 0.0002 Å
• α: 88.798 ± 0.002°
• β: 76.812 ± 0.002°
• γ: 74.108 ± 0.002°
• Cell volume: 766.79 ± 0.03 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No