Information card for entry 7250375

Structure parameters

• Formula: C18 H19 N O4
• Calculated formula: C18 H19 N O4
• Title of publication: Insights into the synthesis and structural properties of pro-chiral 2-acetyl-N-aryl-2-(prop-2-yn-1-yl)pent-4-ynamides/-2-allyl-4-enamide derivatives through kinetics and energy frameworks
• Authors of publication: Vala, Disha P.; Socha, Bhavesh N.; Collins, Victoria G.; Parmar, Mehul P.; Patel, Chirag D.; Bhalodiya, Savan S.; Patel, Subham G.; Banerjee, Sourav; Patel, Hitendra M.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 15712 - 15723
• a: 10.3767 ± 0.0005 Å
• b: 20.8762 ± 0.001 Å
• c: 8.854 ± 0.0003 Å
• α: 90°
• β: 113.457 ± 0.0019°
• γ: 90°
• Cell volume: 1759.5 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0808
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No