Information card for entry 1575488

Structure parameters

• Formula: C16 H13 F3 N2 O S
• Calculated formula: C16 H13 F3 N2 O S
• Title of publication: Regioselective C7 sulfinylation of 4-aminoindoles with sulfinates.
• Authors of publication: Zhang, Yun; Zhang, Zhehao; He, Yong-Ke; Zhang, Jun; Wu, Jie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 76
• Pages of publication: 14689 - 14692
• a: 7.6256 ± 0.0009 Å
• b: 9.9455 ± 0.0012 Å
• c: 11.2468 ± 0.0012 Å
• α: 105.643 ± 0.007°
• β: 97.748 ± 0.007°
• γ: 104.859 ± 0.007°
• Cell volume: 774.61 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0601
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No