Information card for entry 7224593

Structure parameters

• Formula: C19 H16 F N O4
• Calculated formula: C19 H16 F N O4
• SMILES: Fc1ccc(C2N(c3ccccc3)C(=O)C(=C2C(=O)OCC)O)cc1
• Title of publication: Synthesis of pyrrolidinone derivatives from aniline, an aldehyde and diethyl acetylenedicarboxylate in an ethanolic citric acid solution under ultrasound irradiation
• Authors of publication: Ahankar, Hamideh; Ramazani, Ali; Ślepokura, Katarzyna; Lis, Tadeusz; Joo, Sang Woo
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 3582
• a: 8.747 ± 0.004 Å
• b: 11.406 ± 0.005 Å
• c: 16.58 ± 0.006 Å
• α: 80.72 ± 0.03°
• β: 85.21 ± 0.03°
• γ: 85.46 ± 0.04°
• Cell volume: 1623.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1212
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No