Information card for entry 7238004

Structure parameters

• Common name: PI33PPCz
• 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: 12.5354 ± 0.0008 Å
• b: 14.1497 ± 0.0009 Å
• c: 35.992 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6384 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No