Information card for entry 7158201

Structure parameters

• Formula: C22 H19 N O2 S
• Calculated formula: C22 H19 N O2 S
• SMILES: S1(=O)(=O)N(C(=C(c2ccccc2)c2ccccc2)c2c1ccc(c2)C)C
• Title of publication: Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.
• Authors of publication: Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 31
• Pages of publication: 6871 - 6882
• a: 11.613 ± 0.002 Å
• b: 10.494 ± 0.002 Å
• c: 15.562 ± 0.003 Å
• α: 90°
• β: 91.952 ± 0.006°
• γ: 90°
• Cell volume: 1895.4 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1138
• 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