Information card for entry 1558854

Structure parameters

• Chemical name: 10-(4-([4,2':6',4''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine
• Formula: C33 H22 N4 O
• Calculated formula: C33 H22 N4 O
• SMILES: O1c2c(N(c3ccc(c4cc(nc(c4)c4ccncc4)c4ccncc4)cc3)c3ccccc13)cccc2
• Title of publication: Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence
• Authors of publication: Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong
• Journal of publication: Materials Horizons
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2734 - 2740
• a: 9.449 ± 0.003 Å
• b: 10.758 ± 0.003 Å
• c: 13.327 ± 0.004 Å
• α: 96.653 ± 0.006°
• β: 98.071 ± 0.006°
• γ: 112.124 ± 0.006°
• Cell volume: 1221.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.167
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No