Information card for entry 1554249

Structure parameters

• Formula: C32 H27 N3 O
• Calculated formula: C32 H27 N3 O
• SMILES: c1(ccc(n1c1ccc(cc1)c1ccc(cc1)C#N)c1ccccc1)c1ccccc1.N(C)(C)C=O
• 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: 23.528 ± 0.005 Å
• b: 6.0582 ± 0.0012 Å
• c: 17.914 ± 0.004 Å
• α: 90°
• β: 93.56 ± 0.03°
• γ: 90°
• Cell volume: 2548.5 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 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: 0.2738
• Residual factor for significantly intense reflections: 0.2562
• Weighted residual factors for significantly intense reflections: 0.6218
• Weighted residual factors for all reflections included in the refinement: 0.631
• Goodness-of-fit parameter for all reflections included in the refinement: 2.771
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No