Information card for entry 7158541

Structure parameters

• Formula: C21 H22 Cl2 N2 O3
• Calculated formula: C21 H22 Cl2 N2 O3
• Title of publication: Cu(OTf)2-catalyzed C3 aza-Friedel–Crafts alkylation of indoles with N,O-acetals
• Authors of publication: Yi, Zi-Juan; Sun, Jian-Ting; Yang, Tian-Yu; Yu, Xian-Yong; Han, Xiao-Li; Wei, Bang-Guo
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.2206 ± 0.0005 Å
• b: 11.1857 ± 0.0006 Å
• c: 11.8704 ± 0.0007 Å
• α: 112.905 ± 0.002°
• β: 103.286 ± 0.002°
• γ: 96.447 ± 0.002°
• Cell volume: 1069.43 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No