Information card for entry 7119309

Structure parameters

• Formula: C28 H30 O2 S
• Calculated formula: C28 H30 O2 S
• SMILES: C1(=C(c2c(cccc2)S1(=O)=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• 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: 16.9872 ± 0.0011 Å
• b: 11.0288 ± 0.0009 Å
• c: 12.9726 ± 0.0011 Å
• α: 90°
• β: 101.237 ± 0.002°
• γ: 90°
• Cell volume: 2383.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1276
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No