Information card for entry 7106852

Structure parameters

• Formula: C22 H16 N2 O
• Calculated formula: C22 H16 N2 O
• SMILES: c12ccccc1C(=O)NC1c3ccccc3C=C(c3ccccc3)N21
• Title of publication: Yb(OTf)3 catalyzed new cascade reaction: a facile assembly of fused quinazolinones
• Authors of publication: K. Siva Kumar; P. Mahesh Kumar; M. Appi Reddy; Md. Ferozuddin; M. Sreenivasulu; Ahamed A. Jafar; G. R. Krishna; C. Malla Reddy; D. Rambabu; K. Shiva Kumar; Sarbani Pal; Manojit Pal
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10263
• a: 9.388 ± 0.006 Å
• b: 11.595 ± 0.008 Å
• c: 15.005 ± 0.01 Å
• α: 90°
• β: 94.983 ± 0.009°
• γ: 90°
• Cell volume: 1627.2 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.154
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.765
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No