Information card for entry 7236465

Structure parameters

• Formula: C59 H43 N5 O2
• Calculated formula: C59 H43 N5 O2
• Title of publication: Networking hole and electron hopping paths by Y-shaped host molecules: promoting blue phosphorescent organic light emitting diodes
• Authors of publication: Huang, Jau-Jiun; Yun, Lik-Ka; Kung, Te-Jen; Chen, Chi-Lin; Lee, Jiun-Haw; Wu, Yuh-Renn; Chiu, Tien-Lung; Chou, Pi-Tai; Leung, Man-kit
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 14
• Pages of publication: 3600
• a: 29.952 ± 0.0002 Å
• b: 29.952 ± 0.0002 Å
• c: 19.5265 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17517.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No