Information card for entry 7121121

Structure parameters

• Formula: C22 H17 N O2 S
• Calculated formula: C22 H17 N O2 S
• SMILES: S(=O)(=O)(c1c(c2c(nc1)ccc(c2)C)c1ccccc1)c1ccccc1
• Title of publication: Visible-light-induced multicomponent cascade cycloaddition involving N-propargyl aromatic amines, diaryliodonium salts and sulfur dioxide: rapid access to 3-arylsulfonylquinolines.
• Authors of publication: Sun, Deli; Yin, Kun; Zhang, Ronghua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1335 - 1338
• a: 7.3596 ± 0.0008 Å
• b: 10.4885 ± 0.0012 Å
• c: 23.677 ± 0.003 Å
• α: 90°
• β: 96.831 ± 0.004°
• γ: 90°
• Cell volume: 1814.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No