Information card for entry 7124728

Structure parameters

• Formula: C40 H32 S2
• Calculated formula: C40 H32 S2
• Title of publication: Synthesis, aggregation-enhanced emission, polymorphism and piezochromism of TPE-cored foldamers with through-space conjugation.
• Authors of publication: Zhuang, Zeyan; Shen, Pingchuan; Ding, Siyang; Luo, Wenwen; He, Bairong; Nie, Han; Wang, Bohan; Huang, Tianbai; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 72
• Pages of publication: 10842 - 10845
• a: 16.2653 ± 0.0011 Å
• b: 11.5962 ± 0.0006 Å
• c: 18.2995 ± 0.0016 Å
• α: 90°
• β: 115.9 ± 0.002°
• γ: 90°
• Cell volume: 3104.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No