Information card for entry 1554689

Structure parameters

• Formula: C43 H31 N3
• Calculated formula: C43 H31 N3
• SMILES: N(c1ccc(c2cc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc(c2)C#N)cc1)(c1ccccc1)c1ccccc1
• Title of publication: Pressure-induced remarkable luminescence switch of a dimer form of donor–acceptor–donor triphenylamine (TPA) derivative
• Authors of publication: Li, Aisen; Chu, Ning; Liu, Jianwei; Liu, Hao; Wang, Jing; Xu, Shuping; Cui, Haining; Zhang, Hongyu; Xu, Weiqing; Ma, Zhiyong
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 2768
• a: 12.995 ± 0.005 Å
• b: 14.047 ± 0.005 Å
• c: 18.771 ± 0.008 Å
• α: 85.928 ± 0.015°
• β: 72.336 ± 0.015°
• γ: 78.362 ± 0.014°
• Cell volume: 3198 ± 2 ų
• Cell temperature: 279 ± 2 K
• Ambient diffraction temperature: 278.84 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No