Information card for entry 7160759

Structure parameters

• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• Title of publication: Preparation of α,β,γ,γ-tetrasubstituted α,β-unsaturated γ-lactams <i>via</i> a tandem or one-pot oxidative Ritter reaction/Knoevenagel condensation.
• Authors of publication: Chen, Yu-Ting; Hu, Yue-Hong; Gan, Zhang-Yan; Yu, Chun-Yu; Mo, Juxin; Chen, Meng-En; Zhang, Xiao-Ming; Zhang, Fu-Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 9570 - 9575
• a: 11.1025 ± 0.0002 Å
• b: 7.4074 ± 0.0001 Å
• c: 19.1639 ± 0.0003 Å
• α: 90°
• β: 106.41 ± 0.002°
• γ: 90°
• Cell volume: 1511.85 ± 0.04 ų
• Cell temperature: 300.96 ± 0.1 K
• Ambient diffraction temperature: 300.96 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No