Information card for entry 7239323

Structure parameters

• Formula: C46 H34 N8 O8
• Calculated formula: C46 H32 N8 O8
• Title of publication: Catalyst-free synthesis of benzofuran-fused pyrido[4,3-d]pyrimidines from 2-(2-hydroxyaryl)acetonitrile and 4,6-dichloropyrimidine-5-carbaldehyde through domino condensation reactions
• Authors of publication: Li, Bo; Yue, Zhizhou; Xiang, Haoyue; Lv, Linlin; Song, Shanshan; Miao, Zehong; Yang, Chunhao
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 358
• a: 3.8285 ± 0.0015 Å
• b: 21.348 ± 0.008 Å
• c: 22.566 ± 0.01 Å
• α: 78.7 ± 0.03°
• β: 90°
• γ: 90°
• Cell volume: 1808.6 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3507
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.759
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No