Information card for entry 1553413

Structure parameters

• Common name: TPT
• Chemical name: 2,3,4,5-tetraphenylthiophene
• Formula: C28 H20 S
• Calculated formula: C28 H20 S
• SMILES: s1c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching?
• Authors of publication: Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 6
• Pages of publication: 1125
• a: 15.4081 ± 0.0005 Å
• b: 6.0485 ± 0.0002 Å
• c: 22.1271 ± 0.0007 Å
• α: 90°
• β: 102.299 ± 0.003°
• γ: 90°
• Cell volume: 2014.83 ± 0.12 ų
• Cell temperature: 173 ± 0.3 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No