Information card for entry 2213016

Structure parameters

• Chemical name: Ethyl 6-methyl-2-(3-nitrophenoxy)-4-oxo-3-phenyl-3,4-dihydrofuro[2,3-d]pyrimidine- 5-carboxylate
• Formula: C22 H17 N3 O7
• Calculated formula: C22 H17 N3 O7
• SMILES: c1(cc(ccc1)N(=O)=O)Oc1n(c(=O)c2c(n1)oc(c2C(=O)OCC)C)c1ccccc1
• Title of publication: Ethyl 6-methyl-2-(3-nitrophenoxy)-4-oxo-3-phenyl-3,4-dihydrofuro[2,3-<i>d</i>]pyrimidine-5-carboxylate
• Authors of publication: Yang-Gen Hu; Gui-Hua Li; Ming-Hua Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1836 - o1838
• a: 15.4932 ± 0.0012 Å
• b: 19.406 ± 0.002 Å
• c: 27.424 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8245.3 ± 1.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes