Information card for entry 7237869

Structure parameters

• Formula: C68 H44 N2 O2 S2
• Calculated formula: C68 H44 N2 O2 S2
• Title of publication: Rational design of thermally activated delayed fluorescence emitters with aggregation-induced emission employing combined charge transfer pathways for fabricating efficient non-doped OLEDs
• Authors of publication: Ma, Fulong; Cheng, Yu; Zheng, Yu; Ji, Hefang; Hasrat, Kamran; Qi, Zhengjian
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 30
• Pages of publication: 9413
• a: 24.5727 ± 0.0013 Å
• b: 11.4734 ± 0.0005 Å
• c: 23.3323 ± 0.0011 Å
• α: 90°
• β: 98.189 ± 0.002°
• γ: 90°
• Cell volume: 6511.1 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No