Information card for entry 1573207

Structure parameters

• Chemical name: Ethyl (2<i>RS</i>,3<i>SR</i>,4<i>RS</i>)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate
• Formula: C13 H17 N O5
• Calculated formula: C13 H17 N O5
• Title of publication: Ethyl (2RS,3SR,4RS)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate
• Authors of publication: Mohd Rosli, Nor Habibah; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 11
• Pages of publication: x241088
• a: 11.15335 ± 0.00007 Å
• b: 17.41068 ± 0.00009 Å
• c: 14.0624 ± 0.00009 Å
• α: 90°
• β: 108.155 ± 0.0007°
• γ: 90°
• Cell volume: 2594.8 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No