Information card for entry 7121145

Structure parameters

• Formula: C44 H26 F2 N4 O2
• Calculated formula: C44 H26 F2 N4 O2
• SMILES: n1c(c2ccc(N3c4c(Oc5c3cccc5)cccc4)cc2)c(nc2c1cc(F)c(F)c2)c1ccc(N2c3c(Oc4c2cccc4)cccc3)cc1
• Title of publication: An efficient exciton harvest route for high-performance OLEDs based on aggregation-induced delayed fluorescence.
• Authors of publication: Yu, Ling; Wu, Zhongbin; Xie, Guohua; Zhong, Cheng; Zhu, Zece; Ma, Dongge; Yang, Chuluo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1379 - 1382
• a: 11.2482 ± 0.0006 Å
• b: 11.3076 ± 0.0006 Å
• c: 13.5181 ± 0.0007 Å
• α: 91.797 ± 0.001°
• β: 102.745 ± 0.001°
• γ: 101.04 ± 0.001°
• Cell volume: 1641.1 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No