Information card for entry 7157286

Structure parameters

• Formula: C28 H20 Br N O2 S
• Calculated formula: C28 H20 Br N O2 S
• Title of publication: p-TsOH-mediated synthesis of substituted 2,4-diaryl-3-sulfonylquinolines from functionalized 2-aminobenzophenones and aromatic β-ketosulfones under microwave irradiation.
• Authors of publication: Chan, Chieh-Kai; Lai, Chien-Yu; Lo, Wei-Chih; Cheng, Yu-Ting; Chang, Meng-Yang; Wang, Cheng-Chung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 305 - 315
• a: 10.295 ± 0.0015 Å
• b: 15.616 ± 0.002 Å
• c: 14.892 ± 0.002 Å
• α: 90°
• β: 108.857 ± 0.004°
• γ: 90°
• Cell volume: 2265.6 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No