Information card for entry 7248977

Structure parameters

• Common name: md_hc11
• Formula: C19 H16 N2 O2
• Calculated formula: C19 H16 N2 O2
• Title of publication: One-pot FeCl3-catalyzed sustainable synthesis of pyrimidines using ammonium iodide, aldehydes and alkyl lactate as raw materials
• Authors of publication: Fu, Meitian; Li, Jingpeng; Zhang, Zhou; Wan, Juan; Yuan, Minglong; Huang, Chao
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 8854 - 8860
• a: 7.3522 ± 0.0007 Å
• b: 10.6585 ± 0.001 Å
• c: 10.8591 ± 0.001 Å
• α: 103.317 ± 0.003°
• β: 104.368 ± 0.004°
• γ: 104.813 ± 0.003°
• Cell volume: 756.72 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2791
• Residual factor for significantly intense reflections: 0.2662
• Weighted residual factors for significantly intense reflections: 0.561
• Weighted residual factors for all reflections included in the refinement: 0.5743
• Goodness-of-fit parameter for all reflections included in the refinement: 2.665
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No