Information card for entry 2003862

Structure parameters

• Chemical name: 1-Phenyl-4-(2'-thienyl)-5,5-dicarbethoxypyrrolidin-2-one.
• Formula: C20 H21 N O5 S
• Calculated formula: C20 H20.867 N O5 S
• Title of publication: Diethyl 5-Oxo-1-phenyl-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate, C~20~H~21~NO~5~S
• Authors of publication: Kandasamy, S.; Fun, H.-K.; Ray, J. K.; Roy, B. C.; Nigam, G. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1942 - 1944
• a: 10.872 ± 0.001 Å
• b: 14.559 ± 0.001 Å
• c: 12.674 ± 0.001 Å
• α: 90°
• β: 100.27 ± 0.01°
• γ: 90°
• Cell volume: 1974 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections: 0.1183
• Weighted residual factors for significantly intense reflections: 0.1071
• Goodness-of-fit parameter for all reflections: 0.936
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No