Information card for entry 7235173

Structure parameters

• Formula: C36 H30 N4 S
• Calculated formula: C36.08 H29.92 N4.08 S1.04
• Title of publication: Teaching an old acceptor new tricks: rationally employing 2,1,3-benzothiadiazole as input to design a highly efficient red thermally activated delayed fluorescence emitter
• Authors of publication: Fan Ni; Zhongbin Wu; Zece Zhu; Tianheng Chen; Kailong Wu; Cheng Zhong; Kebin An; Danqing Wei; Dongge Ma; Chuluo Yang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 1363 - 1368
• a: 26.456 ± 0.009 Å
• b: 7.923 ± 0.002 Å
• c: 17.551 ± 0.007 Å
• α: 90°
• β: 120.844 ± 0.007°
• γ: 90°
• Cell volume: 3158.6 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.249
• Weighted residual factors for all reflections included in the refinement: 0.2601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No