Information card for entry 7235165

Structure parameters

• Formula: C30 H20 O2 S2
• Calculated formula: C30 H20 O2 S2
• SMILES: C1(=C(c2c(c(c(c3ccccc3)s2)c2ccccc2)S1(=O)=O)c1ccccc1)c1ccccc1
• Title of publication: Oxidation-enhanced emission: exploring novel AIEgens from thieno[3,2-b]thiophene S,S-dioxide
• Authors of publication: Bin Chen; Han Zhang; Wenwen Luo; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 960 - 968
• a: 9.75 ± 0.002 Å
• b: 10.415 ± 0.002 Å
• c: 12.252 ± 0.003 Å
• α: 104.173 ± 0.007°
• β: 102.316 ± 0.007°
• γ: 98.648 ± 0.007°
• Cell volume: 1151.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No