Information card for entry 7202880

Structure parameters

• Formula: C27 H18 N4
• Calculated formula: C27 H18 N4
• SMILES: N(c1ccc(cc1)/C=C/C#N)(c1ccc(cc1)/C=C/C#N)c1ccc(cc1)/C=C/C#N
• Title of publication: Investigations and facile synthesis of a series of novel multi-functional two-photon absorption materials
• Authors of publication: Tian, Yu-Peng; Li, Lin; Zhang, Ju-Zhou; Yang, Jia-Xiang; Zhou, Hong-ping; Wu, Jie-ying; Sun, Ping-ping; Tao, Li-min; Guo, Ya-hui; Wang, Chuan-Kui; Xing, Hui; Huang, Wen-hao; Tao, Xu-Tang; Jiang, Min-Hua
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 34
• Pages of publication: 3646
• a: 15.244 ± 0.005 Å
• b: 15.244 ± 0.005 Å
• c: 16.059 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 3231.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1803
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No