Information card for entry 7160588

Structure parameters

• Formula: C30 H21 N O3 S
• Calculated formula: C30 H21 N O3 S
• Title of publication: Radical cascade cyclization of chalcone skeleton enynes with sulfonylhydrazides: access to <i>meta</i>-sulfonyl-functionalized pyridines.
• Authors of publication: Ni, Hairui; Zhao, Xinyuan; Yu, Tongyan; Shen, Wei; You, Siliang; Deng, Chao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 27
• Pages of publication: 6570 - 6575
• a: 11.3681 ± 0.0012 Å
• b: 12.4428 ± 0.0012 Å
• c: 17.317 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2449.5 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No