Information card for entry 7236954

Structure parameters

• Chemical name: ClPPM
• Formula: C81 H52 Cl4 N8 O4
• Calculated formula: C81 H52 Cl4 N8 O4
• Title of publication: Halogen-induced internal heavy-atom effect shortening the emissive lifetime and improving the fluorescence efficiency of thermally activated delayed fluorescence emitters
• Authors of publication: Xiang, Yepeng; Zhao, Yongbiao; Xu, Nan; Gong, Shaolong; Ni, Fan; Wu, Kailong; Luo, Jiajia; Xie, Guohua; Lu, Zheng-Hong; Yang, Chuluo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 46
• Pages of publication: 12204
• a: 9.0807 ± 0.0007 Å
• b: 12.8892 ± 0.001 Å
• c: 15.1975 ± 0.0011 Å
• α: 67.58 ± 0.002°
• β: 83.551 ± 0.002°
• γ: 88.048 ± 0.002°
• Cell volume: 1633.8 ± 0.2 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: 0.0964
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No