Information card for entry 7134729

Structure parameters

• Formula: C17 H14 F N O4 S
• Calculated formula: C17 H14 F N O4 S
• Title of publication: Oxidative [3+2] annulation of activated pyridines for the synthesis of indolizinyl sulfonyl fluorides: a class of important pharmacophores.
• Authors of publication: Zhang, Sen; Fayad, Eman; Katouah, Hanadi A.; Huang, Yi-Yong; Qin, Hua-Li
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 57
• Pages of publication: 10586 - 10589
• a: 9.4933 ± 0.0003 Å
• b: 9.7205 ± 0.0002 Å
• c: 9.7983 ± 0.0002 Å
• α: 89.993 ± 0.002°
• β: 77.842 ± 0.002°
• γ: 70.533 ± 0.002°
• Cell volume: 830.96 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0612
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No