Information card for entry 7135503

Structure parameters

• Chemical name: 844
• Formula: C17 H13 F N2 O2 S
• Calculated formula: C17 H13 F N2 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: 9.8276 ± 0.0005 Å
• b: 11.1008 ± 0.0007 Å
• c: 15.5044 ± 0.0008 Å
• α: 103.401 ± 0.005°
• β: 106.506 ± 0.005°
• γ: 98.916 ± 0.005°
• Cell volume: 1532.72 ± 0.17 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No