Information card for entry 2221688

Structure parameters

• Chemical name: Diethyl 4-(4,5-dihydrofuran-2-yl)-3,5-dimethyl-1-phenyl-1,4-\ dihydropyrazine-2,6-dicarboxylate
• Formula: C22 H26 N2 O5
• Calculated formula: C22 H26 N2 O5
• SMILES: CCOC(=O)c1c(C)n(C2=CCCO2)c(c(n1c1ccccc1)C(=O)OCC)C
• Title of publication: Diethyl 4-(4,5-dihydrofuran-2-yl)-3,5-dimethyl-1-phenyl-1,4-dihydropyrazine-2,6-dicarboxylate
• Authors of publication: He, Jing-Yu; Tan, Zhi-Lin; Yan, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1129
• a: 10.069 ± 0.002 Å
• b: 10.242 ± 0.002 Å
• c: 12.519 ± 0.003 Å
• α: 72.37 ± 0.03°
• β: 77.59 ± 0.03°
• γ: 63.76 ± 0.03°
• Cell volume: 1098.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1405
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes