Information card for entry 7237290

Structure parameters

• Common name: 1TP
• Chemical name: 1TP
• Formula: C42 H58 B20
• Calculated formula: C42 H58 B20
• Title of publication: Functionalized phenylimidazole-based facial-homoleptic iridium(iii) complexes and their excellent performance in blue phosphorescent organic light-emitting diodes
• Authors of publication: Kwon, Youngjae; Han, Si Hyun; Yu, Seokhyeon; Lee, Jun Yeob; Lee, Kang Mun
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 16
• Pages of publication: 4565
• a: 8.812 ± 0.0014 Å
• b: 8.8274 ± 0.0015 Å
• c: 16.566 ± 0.002 Å
• α: 92.668 ± 0.01°
• β: 97.662 ± 0.01°
• γ: 112.396 ± 0.009°
• Cell volume: 1174.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1245
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No