Information card for entry 4519264

Structure parameters

• Formula: C20 H5 Cl N6 S5
• Calculated formula: C20 H5 Cl N6 S5
• SMILES: s1nc2c(n1)c1SC(=C(C#N)C#N)Sc1c1SC(=C(C#N)C#N)Sc21.Clc1ccccc1
• 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: 7.3216 ± 0.0005 Å
• b: 10.4441 ± 0.0006 Å
• c: 14.9898 ± 0.0009 Å
• α: 79.644 ± 0.005°
• β: 75.956 ± 0.005°
• γ: 77.935 ± 0.005°
• Cell volume: 1077.3 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No