Information card for entry 7134723

Structure parameters

• Formula: C21 H27 F3 N2 O7 S
• Calculated formula: C21 H27 F3 N2 O7 S
• Title of publication: Electrochemical site-selective C(sp³)-H amination of alkyl substituted indoles and pyrroles.
• Authors of publication: Liu, Shuai; Ge, Yongqi; Li, Jianan; Sheng, Xiaoyu; Zhang, Tian-Shu; Wu, Qiong; Ding, Weijie; Cheng, Xu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 59
• Pages of publication: 11045 - 11048
• a: 9.6415 ± 0.0008 Å
• b: 10.1608 ± 0.0009 Å
• c: 24.945 ± 0.002 Å
• α: 90°
• β: 95.477 ± 0.003°
• γ: 90°
• Cell volume: 2432.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No