Information card for entry 7119303

Structure parameters

• Formula: C20 H12 F2 O2 S
• Calculated formula: C20 H12 F2 O2 S
• SMILES: C1(=C(c2c(cccc2)S1(=O)=O)c1ccc(cc1)F)c1ccc(cc1)F
• Title of publication: A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide.
• Authors of publication: Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1463 - 1466
• a: 10.3524 ± 0.0005 Å
• b: 10.3346 ± 0.0006 Å
• c: 15.3392 ± 0.0009 Å
• α: 90°
• β: 92.291 ± 0.002°
• γ: 90°
• Cell volume: 1639.8 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1213
• 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: No
• Has Fobs: No