Information card for entry 4104903

Structure parameters

• Formula: C23 H30 N6 O3
• Calculated formula: C23 H30 N6 O3
• SMILES: N#CC1=C(N)[C@@H]2[C@]3(NC(=O)NC2=O)CCC[C@H]3[C@@H]1c1ccc(N(C)C)cc1.N(C=O)(C)C.N#CC1=C(N)[C@H]2[C@@]3(NC(=O)NC2=O)CCC[C@@H]3[C@H]1c1ccc(N(C)C)cc1.N(C=O)(C)C
• Title of publication: Four-Component Domino Reaction Leading to Multifunctionalized Quinazolines
• Authors of publication: Bo Jiang; Shu-Jiang Tu; Parminder Kaur; Walter Wever; Guigen Li
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11660 - 11661
• a: 7.2741 ± 0.0007 Å
• b: 11.956 ± 0.001 Å
• c: 13.775 ± 0.002 Å
• α: 93.247 ± 0.002°
• β: 97.858 ± 0.002°
• γ: 104.157 ± 0.003°
• Cell volume: 1145.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0874
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No