Information card for entry 2013822

Structure parameters

• Chemical name: Diethyl 1-(3,4-dchlorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate
• Formula: C20 H19 Cl2 N O6
• Calculated formula: C20 H19 Cl2 N O6
• SMILES: Clc1cc(N2C(=O)CC(C2(C(=O)OCC)C(=O)OCC)c2occc2)ccc1Cl
• 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: 9.5478 ± 0.0009 Å
• b: 10.2319 ± 0.0009 Å
• c: 12.5088 ± 0.0011 Å
• α: 72.749 ± 0.002°
• β: 86.206 ± 0.002°
• γ: 64.31 ± 0.002°
• Cell volume: 1048.91 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes