Information card for entry 4032936

Structure parameters

• Formula: C26 H24 S2
• Calculated formula: C26 H24 S2
• SMILES: s1c(c(C(=C(\c2c(sc(c2)C)C)c2ccccc2)\c2ccccc2)cc1C)C
• Title of publication: Hybrid cis/trans Tetra-arylethenes with Switchable Aggregation-Induced Emission (AIE) and Reversible Photochromism in the Solution, PMMA Film, Solid Powder, and Single Crystal.
• Authors of publication: Luo, Qianfu; Cao, Fei; Xiong, Chaochao; Dou, Qingyu; Qu, Da-Hui
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 20
• Pages of publication: 10960 - 10967
• a: 9.947 ± 0.007 Å
• b: 12.46 ± 0.009 Å
• c: 17.683 ± 0.012 Å
• α: 90°
• β: 94.163 ± 0.012°
• γ: 90°
• Cell volume: 2186 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No