Information card for entry 7238005

Structure parameters

• Common name: PI22PPCz
• Formula: C45 H29 N3
• Calculated formula: C45 H29 N3
• Title of publication: Isomer dependent molecular packing and carrier mobility of N-phenylcarbazole‒phenanthro[9,10-d]imidazole based materials as hosts for efficient electrophosphorescence devices
• Authors of publication: Li, Zhiqiang; Cheng, Zong; Lin, Jianyan; Xie, Ning; Li, Chenglong; Yang, Guochun; Wang, Yue
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 43
• Pages of publication: 13486
• a: 10.052 ± 0.002 Å
• b: 14.186 ± 0.003 Å
• c: 21.411 ± 0.004 Å
• α: 90°
• β: 91.84 ± 0.03°
• γ: 90°
• Cell volume: 3051.6 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No