Information card for entry 7230500

Structure parameters

• Formula: C19 H14 N2 O2
• Calculated formula: C19 H14 N2 O2
• Title of publication: Furan-2-carbaldehydes as C1 building blocks for the synthesis of quinazolin-4(3H)-ones via ligand-free photocatalytic C‒C bond cleavage
• Authors of publication: Yu, Wenjia; Zhang, Xianwei; Qin, Bingjie; Wang, Qiyang; Ren, Xuhong; He, Xinhua
• Journal of publication: Green Chemistry
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 11
• Pages of publication: 2449
• a: 10.351 ± 0.002 Å
• b: 11.378 ± 0.002 Å
• c: 12.992 ± 0.003 Å
• α: 90°
• β: 106.17 ± 0.03°
• γ: 90°
• Cell volume: 1469.6 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 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: 0.0602
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No