Information card for entry 1558853

Structure parameters

• Chemical name: 10-(4-([2,2':6',2''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine
• Formula: C33 H22 N4 O
• Calculated formula: C33 H22 N4 O
• SMILES: O1c2c(N(c3ccc(c4cc(nc(c4)c4ncccc4)c4ncccc4)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: 9.3137 ± 0.0011 Å
• b: 19.52 ± 0.002 Å
• c: 13.6482 ± 0.0016 Å
• α: 90°
• β: 94.3 ± 0.002°
• γ: 90°
• Cell volume: 2474.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No