Information card for entry 7135502

Structure parameters

• Formula: C17 H13 N O2 S
• Calculated formula: C17 H13 N O2 S
• Title of publication: Time-dependent Rh(III)-catalyzed chemodivergent reactions of 2-pyridylthiophenes with nitroalkenes.
• Authors of publication: Wang, Cheng; Zhang, Qiang; Qin, Sisi; Lai, Zhimin; Liang, Taoyuan; Huang, Guan; Zhao, Shuangliang; Zhang, Zhuan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 5
• Pages of publication: 1614 - 1617
• a: 9.5107 ± 0.0018 Å
• b: 14.457 ± 0.002 Å
• c: 11.245 ± 0.0018 Å
• α: 90°
• β: 111.41 ± 0.02°
• γ: 90°
• Cell volume: 1439.4 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0827
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No