Information card for entry 8106676

Structure parameters

• Formula: C14 H16 F N O4
• Calculated formula: C14 H16 F N O4
• SMILES: O=C1N(Cc2ccc(F)cc2)C[C@H]([C@H]1OC)C(=O)OC.O=C1N(Cc2ccc(F)cc2)C[C@@H]([C@@H]1OC)C(=O)OC
• Title of publication: Crystal structure of methyl 1-(4-fluorobenzyl)-4-methoxy-5-oxopyrrolidine-3-carboxylate, C14H16FNO4
• Authors of publication: Chebbi, Hammouda; Guesmi, Abderrahmen; Driss, Ahmed
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 781 - 782
• a: 10.189 ± 0.004 Å
• b: 7.742 ± 0.002 Å
• c: 17.24 ± 0.005 Å
• α: 90°
• β: 94.5 ± 0.01°
• γ: 90°
• Cell volume: 1355.8 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No