Information card for entry 7160760

Structure parameters

• Formula: C19 H21 N O2
• Calculated formula: C19 H21 N O2
• 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: 20.5269 ± 0.0002 Å
• b: 6.6855 ± 0.0001 Å
• c: 24.6306 ± 0.0003 Å
• α: 90°
• β: 114.611 ± 0.002°
• γ: 90°
• Cell volume: 3073.06 ± 0.08 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No