Information card for entry 7251579

Structure parameters

• Formula: C20 H17 N3 O2
• Calculated formula: C20 H17 N3 O2
• Title of publication: Water-promoted deconstructive amination of alkenes through single-carbon deletion: access to fully substituted pyrroles
• Authors of publication: Fu, Xue-Ju; Qi, Ting; Zhang, Xin; Xu, Ke; Huang, Wei; Peng, Cheng; Li, Jun-Long; Han, Bo; Zhan, Gu
• Journal of publication: Green Chemistry
• Year of publication: 2026
• a: 6.9335 ± 0.0004 Å
• b: 15.0785 ± 0.0007 Å
• c: 8.7254 ± 0.0005 Å
• α: 90°
• β: 101.786 ± 0.004°
• γ: 90°
• Cell volume: 892.98 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No