Information card for entry 7109535

Structure parameters

• Formula: C19 H20 N2 O
• Calculated formula: C19 H20 N2 O
• SMILES: O(c1ccc(c2nc(c3ccccc3n2)CCCC)cc1)C
• Title of publication: One-pot synthesis of quinazoline derivatives via [2+2+2] cascade annulation of diaryliodonium salts and two nitriles
• Authors of publication: Xiang Su; Chao Chen; Yong Wang; Junjie Chen; Zhenbang Lou; Ming Li
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6752
• a: 7.482 ± 0.002 Å
• b: 9.231 ± 0.003 Å
• c: 12.345 ± 0.003 Å
• α: 71.15 ± 0.03°
• β: 75.16 ± 0.02°
• γ: 86.82 ± 0.03°
• Cell volume: 779.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1237
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No