Information card for entry 2013821

Structure parameters

• Chemical name: Diethyl 1-(4-fluorophenyl)-3-(2-furyl)-5-oxopyrrolidine -2,2-dicarboxylate
• Formula: C20 H20 F N O6
• Calculated formula: C20 H20 F N O6
• SMILES: Fc1ccc(N2C(=O)CC(C2(C(=O)OCC)C(=O)OCC)c2occc2)cc1
• Title of publication: Diethyl 1-(4-fluorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate and diethyl 1-(3,4-dichlorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate
• Authors of publication: Ray, Jayanta Kumar; Haldar, Pranab; Canle L., M.; Santaballa, J. A.; Mahía, Jose
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o163 - o165
• a: 9.582 ± 0.003 Å
• b: 10.157 ± 0.003 Å
• c: 11.384 ± 0.004 Å
• α: 90.305 ± 0.006°
• β: 105.358 ± 0.006°
• γ: 112.405 ± 0.005°
• Cell volume: 980.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes