Information card for entry 7135832

Structure parameters

• Formula: C29 H24 N2 O3 S2
• Calculated formula: C29 H24 N2 O3 S2
• Title of publication: Palladium-Catalyzed Three-Component Tandem Reaction of Thioamides, Arenediazonium Tetrafluoroborates and DABSO: An Efficient Synthesis of Arylsulfonyl 1,3-Benzothiazines
• Authors of publication: Jiang, Dong-Fang; He, Wei-Min; Jia, Zhou; Yang, Can; Yutong, Tang; Liu, Shuai
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 10.9413 ± 0.0002 Å
• b: 13.5395 ± 0.0003 Å
• c: 20.7527 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3074.3 ± 0.12 ų
• Cell temperature: 299.44 ± 0.1 K
• Ambient diffraction temperature: 299.44 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No