Information card for entry 7153599

Structure parameters

• Formula: C24 H18 N2 O
• Calculated formula: C24 H18 N2 O
• SMILES: n12c(c3c(c(c2c2ccccc2)C)cc(cc3)C)nc2c(c1=O)cccc2
• Title of publication: Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.
• Authors of publication: Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 758 - 764
• a: 13.5728 ± 0.0005 Å
• b: 18.3397 ± 0.0007 Å
• c: 14.2808 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3554.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No