Information card for entry 1542430

Structure parameters

• Formula: C50 H32 N2
• Calculated formula: C50 H32 N2
• SMILES: n1(c2ccc(c3c4ccccc4c(c4ccccc34)c3ccc(n4c5ccccc5c5ccccc45)cc3)cc2)c2ccccc2c2ccccc12
• Title of publication: Insight into the mechanism and outcoupling enhancement of excimer-associated white light generation
• Authors of publication: Chen, Ying-Hsiao; Tang, Kuo-Chun; Chen, Yi-Ting; Shen, Jiun-Yi; Wu, Yu-Sin; Liu, Shih-Hung; Lee, Chun-Shu; Chen, Chang-Hsuan; Lai, Tzu-Yu; Tung, Shih-Huang; Jeng, Ru-Jong; Hung, Wen-Yi; Jiao, Min; Wu, Chung-Chih; Chou, Pi-Tai
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 3556
• a: 12.8317 ± 0.0004 Å
• b: 7.8512 ± 0.0003 Å
• c: 17.4533 ± 0.0008 Å
• α: 90°
• β: 90.411 ± 0.002°
• γ: 90°
• Cell volume: 1758.27 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.1489
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No