Information card for entry 1503645

Structure parameters

• Formula: C28 H28 N4 O1.5
• Calculated formula: C28 H28 N4 O1.5
• SMILES: n12c(N=c3c(C1c1ccccc1)cn(cc3Cc1ccccc1)C)nc1c2cccc1.OCC.O
• Title of publication: Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation
• Authors of publication: Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang
• Journal of publication: Journal of Combinatorial Chemistry
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 809
• a: 9.8714 ± 0.0013 Å
• b: 16.11 ± 0.02 Å
• c: 16.131 ± 0.002 Å
• α: 95.159 ± 0.001°
• β: 103.578 ± 0.002°
• γ: 91.954 ± 0.001°
• Cell volume: 2479 ± 3 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: 0.24
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No