Information card for entry 1554245

Structure parameters

• Formula: C29 H20 N2
• Calculated formula: C29 H20 N2
• SMILES: N#Cc1ccc(cc1)c1ccc(n2c(c3ccccc3)cc(c2)c2ccccc2)cc1
• Title of publication: A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence
• Authors of publication: Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 284
• a: 8.7745 ± 0.0018 Å
• b: 11.508 ± 0.002 Å
• c: 20.298 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2049.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No