Information card for entry 7159923

Structure parameters

• Formula: C28 H28 N2 O4
• Calculated formula: C28 H28 N2 O4
• Title of publication: Visible-Light-Induced Three-Component Reactions of α-Diazoesters, Quinazolinones and Cyclic Ethers Selectively Lead to Quinazoline-Based Hybrids
• Authors of publication: Peng, Yiyuan; Liu, Yan; Yang, Qin; Wang, Wei; Fu, Yang; Ding, Qiuping
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 6.1921 ± 0.0006 Å
• b: 11.958 ± 0.0015 Å
• c: 32.979 ± 0.004 Å
• α: 90°
• β: 91.359 ± 0.01°
• γ: 90°
• Cell volume: 2441.2 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.17
• Residual factor for significantly intense reflections: 0.1175
• Weighted residual factors for significantly intense reflections: 0.2527
• Weighted residual factors for all reflections included in the refinement: 0.2823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No