Information card for entry 7251701

Structure parameters

• Formula: C21 H20 N2 O2
• Calculated formula: C21 H20 N2 O2
• Title of publication: Visible-light-induced annulation of 4-aminocoumarins to tetrahydropyrimidine-fused coumarins and evaluation of their antitumor activities
• Authors of publication: Li, Ning-Bo; Liu, Yun-Chang; Liu, Lun-Hang; Wei, Wan-Yu; Zhang, Di; He, Wei-Min; Jia, Hong-Yan; Bian, Wei
• Journal of publication: Green Chemistry
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 1601 - 1606
• a: 7.7577 ± 0.0002 Å
• b: 9.9027 ± 0.0003 Å
• c: 21.276 ± 0.0005 Å
• α: 90°
• β: 93.666 ± 0.002°
• γ: 90°
• Cell volume: 1631.12 ± 0.08 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 2.225
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No