Information card for entry 7237813

Structure parameters

• Common name: 1-Phenyl-2-(3-(1,2,2-triphenylvinyl)phenyl)-1H-phenanthro [9,10-d]imidazole (mTPI)
• Chemical name: mTPI
• Formula: C47 H32 N2
• Calculated formula: C47 H32 N2
• Title of publication: Synergistic tuning of the optical and electrical performance of AIEgens with a hybridized local and charge-transfer excited state
• Authors of publication: Zhang, Han; Zeng, Jiajie; Luo, Wenwen; Wu, Haozhong; Zeng, Cheng; Zhang, Kexin; Feng, Weiqiang; Wang, Zhiming; Zhao, Zujin; Tang, Ben Zhong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 21
• Pages of publication: 6359
• a: 8.7906 ± 0.0004 Å
• b: 9.4467 ± 0.0004 Å
• c: 20.6771 ± 0.0009 Å
• α: 92.102 ± 0.004°
• β: 101.38 ± 0.004°
• γ: 94.483 ± 0.004°
• Cell volume: 1675.78 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No