Information card for entry 2226798

Structure parameters

• Chemical name: Ethyl (2,5-dioxo-1-phenyl-2,3-dihydro-1<i>H</i>,5<i>H</i>-1- benzofuro[3,2-<i>d</i>]imidazo[1,2-<i>a</i>]pyrimidin-3-yl)acetate
• Formula: C22 H17 N3 O5
• Calculated formula: C22 H17 N3 O5
• SMILES: c12ccccc1c1c(c(=O)n3c(n1)N(c1ccccc1)C(=O)C3CC(=O)OCC)o2
• Title of publication: Ethyl (2,5-dioxo-1-phenyl-2,3-dihydro-1<i>H</i>,5<i>H</i>-1-benzofuro[3,2-<i>d</i>]imidazo[1,2-<i>a</i>]pyrimidin-3-yl)acetate
• Authors of publication: Deng, Shou-Heng; Cao, Feng-Jun; Cai, Xiao-Jun; Li, Fang; Chen, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2173 - o2174
• a: 8.5418 ± 0.0012 Å
• b: 8.6553 ± 0.0012 Å
• c: 14.519 ± 0.002 Å
• α: 86.642 ± 0.002°
• β: 82.873 ± 0.002°
• γ: 62.619 ± 0.002°
• Cell volume: 945.8 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes