Information card for entry 7130255

Structure parameters

• Common name: Py=2BZT
• Chemical name: 2,2'-(2-(pyren-1-yl)ethene-1,1-diyl)bis(benzo[d]thiazole)
• Formula: C32 H18 N2 S2
• Calculated formula: C32 H18 N2 S2
• Title of publication: Robust Formation of Discrete Non-Covalent Pyrene Dimers in Amorphous Film by Strong π–π Interaction
• Authors of publication: Zhang, Xiangyu; Fu, Zhiyuan; Jiang, Xinyan; Yang, Zhiqiang; Wang, Shiyin; Wang, Kai; Wu, Zhijun; Zhang, Shitong; Liu, Haichao; Yang, Bing
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.8249 ± 0.0007 Å
• b: 11.0232 ± 0.0009 Å
• c: 12.612 ± 0.0011 Å
• α: 68.065 ± 0.003°
• β: 81.235 ± 0.003°
• γ: 84.301 ± 0.003°
• Cell volume: 1123.57 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No