Information card for entry 7245036

Structure parameters

• Formula: C25 H23 N O4 S
• Calculated formula: C25 H23 N O4 S
• Title of publication: Metal- and base-free tandem sulfonylation/cyclization of 1,5-dienes with aryldiazonium salts via the insertion of sulfur dioxide
• Authors of publication: Wang, Xiaohong; You, Fengzhi; Xiong, Baojian; Chen, Lei; Zhang, Xuemei; Lian, Zhong
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 26
• Pages of publication: 16745 - 16750
• a: 10.6128 ± 0.0003 Å
• b: 9.0112 ± 0.0003 Å
• c: 22.7652 ± 0.0007 Å
• α: 90°
• β: 95.487 ± 0.003°
• γ: 90°
• Cell volume: 2167.15 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0766
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No