Information card for entry 7250662

Structure parameters

• Formula: C17 H20 N2 O2
• Calculated formula: C17 H20 N2 O2
• Title of publication: Mechanistic insights on the Lewis acid-catalyzed three-component cationic Povarov reaction: synthesis of <i>N</i>-propargyl 1,2,3,4-tetrahydroquinolines.
• Authors of publication: Rodríguez-Núñez, Yeray A; Sánchez-Márquez, Jesús; Quintero-Saumeth, Jorge; Guerra, Cristian J.; Polo-Cuadrado, Efraín; Villaman, David; Fica-Cornejo, Cristopher A; Romero Bohórquez, Arnold R
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 11799 - 11810
• a: 9.4298 ± 0.0003 Å
• b: 17.407 ± 0.0007 Å
• c: 9.4334 ± 0.0004 Å
• α: 90°
• β: 96.268 ± 0.001°
• γ: 90°
• Cell volume: 1539.18 ± 0.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No