Information card for entry 4519263

Structure parameters

• Formula: C28 H14 F N5 S3
• Calculated formula: C28 H14 F N5 S3
• SMILES: s1nc2c(n1)c1SC(Sc1c(F)c2c1ccc(N(c2ccccc2)c2ccccc2)cc1)=C(C#N)C#N
• Title of publication: Deep-Red Aggregation-Induced Emission Luminogen Based on Dithiofuvalene-Fused Benzothiadiazole for Lipid Droplet-Specific Imaging
• Authors of publication: Yu, Ying; Xing, Hao; Park, Hojeong; Zhang, Ruoyao; Peng, Chen; Sung, Herman H.-Y.; Williams, Ian D.; Ma, Chao; Wong, Kam Sing; Li, Shijie; Xiong, Qingping; Li, Min-Hui; Zhao, Zheng; Tang, Ben Zhong
• Journal of publication: ACS Materials Letters
• Year of publication: 2021
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 159 - 164
• a: 7.32853 ± 0.00013 Å
• b: 18.8735 ± 0.0003 Å
• c: 8.53709 ± 0.00014 Å
• α: 90°
• β: 95.8653 ± 0.0016°
• γ: 90°
• Cell volume: 1174.63 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No