Information card for entry 7235160

Structure parameters

• Formula: C34 H16 F12 O2 S2
• Calculated formula: C33.999 H16 F11.997 O2 S2
• 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: 10.9441 ± 0.0008 Å
• b: 11.8177 ± 0.001 Å
• c: 14.1721 ± 0.0011 Å
• α: 106.966 ± 0.003°
• β: 92.284 ± 0.002°
• γ: 117.261 ± 0.002°
• Cell volume: 1525.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1611
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No