Information card for entry 7233353

Structure parameters

• Formula: C36 H24 O2 S2
• Calculated formula: C36 H24 O2 S2
• Title of publication: Thiophene-containing tetraphenylethene derivatives with different aggregation-induced emission (AIE) and mechanofluorochromic characteristics
• Authors of publication: Yin, Ya; Chen, Zhao; Yang, Yue; Liu, Gang; Fan, Congbin; Pu, Shouzhi
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 42
• Pages of publication: 24338
• a: 9.0738 ± 0.0019 Å
• b: 11.139 ± 0.002 Å
• c: 28.078 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2837.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No