Information card for entry 7230499

Structure parameters

• Formula: C14 H10 N2 O
• Calculated formula: C14 H10 N2 O
• 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: 12.105 ± 0.002 Å
• b: 7.6772 ± 0.0015 Å
• c: 11.507 ± 0.002 Å
• α: 90°
• β: 97.73 ± 0.03°
• γ: 90°
• Cell volume: 1059.7 ± 0.3 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: 0.0695
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No