Information card for entry 7235159

Structure parameters

• Formula: C34 H28 O2 S2
• Calculated formula: C34 H28 O2 S2
• SMILES: C1(=C(c2c(c(c(c3ccc(cc3)C)s2)c2ccc(cc2)C)S1(=O)=O)c1ccc(cc1)C)c1ccc(cc1)C
• 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: 9.7867 ± 0.0006 Å
• b: 11.6737 ± 0.0007 Å
• c: 12.7066 ± 0.0009 Å
• α: 107.28 ± 0.002°
• β: 96.692 ± 0.002°
• γ: 96.036 ± 0.002°
• Cell volume: 1361.69 ± 0.15 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: 0.1235
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No