Information card for entry 1554240

Structure parameters

• Common name: POZ-BT-CN
• Chemical name: POZ-BT-CN
• Formula: C25 H14 N4 O S
• Calculated formula: C25 H14 N4 O S
• SMILES: c12c(ccc(c1nsn2)c1ccc2c(c1)Oc1c(N2c2ccccc2)cccc1)C#N
• Title of publication: The roles of thermally activated delayed fluorescence sensitizers for efficient red fluorescent organic light-emitting diodes with D‒A‒A type emitters
• Authors of publication: Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Wu, Sheng-Fan; Yuan, Yi; Aziz Khan, Aziz Khan; Jiang, Zuo-Quan; Fung, Man-Keung; Liao, Liang-Sheng
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 161
• a: 17.804 ± 0.002 Å
• b: 9.217 ± 0.0011 Å
• c: 12.5258 ± 0.0017 Å
• α: 90°
• β: 107.795 ± 0.004°
• γ: 90°
• Cell volume: 1957.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No