Information card for entry 1545026

Structure parameters

• Chemical name: (E)-1,2-di(thiophen-2-yl)ethene
• Formula: C10 H8 S2
• Calculated formula: C10 H8 S2
• Title of publication: Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene
• Authors of publication: Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 2629
• a: 5.81321 ± 0.00019 Å
• b: 7.5432 ± 0.0003 Å
• c: 10.2777 ± 0.0003 Å
• α: 90°
• β: 93.249 ± 0.003°
• γ: 90°
• Cell volume: 449.95 ± 0.03 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0409
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No