Information card for entry 2021709

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide
• Formula: C33 H27 N O2 S
• Calculated formula: C33 H27 N O2 S
• SMILES: S(=O)(=O)(Nc1cc(ccc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(C)cc1
• Title of publication: A novel tetraphenylethylene derivative: 4-methyl-<i>N</i>-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide with aggregation-induced emission
• Authors of publication: Jia, Lei; Zhang, Jun; Du, Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• a: 16.4855 ± 0.0004 Å
• b: 9.2994 ± 0.0003 Å
• c: 19.0422 ± 0.0005 Å
• α: 90°
• β: 113.403 ± 0.001°
• γ: 90°
• Cell volume: 2679.11 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0925
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes