Information card for entry 7224276

Structure parameters

• Formula: C21 H19 F N4 O4
• Calculated formula: C21 H19 F N4 O4
• SMILES: Fc1ccc(CN2C(C3C(=O)N(C(=O)N(C)C=3N)C)c3ccccc3C2=O)cc1.O
• Title of publication: Facile one-pot three-component synthesis of diverse 2,3-disubstituted isoindolin-1-ones using ZrO2 nanoparticles as a reusable dual acid-base solid support under solvent-free conditions
• Authors of publication: Pramanik, Animesh; Debnath, Kamalesh; Mukherjee, Sayan; Bodhak, Chandan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.293 ± 0.002 Å
• b: 12.118 ± 0.002 Å
• c: 14.03 ± 0.003 Å
• α: 90°
• β: 97.621 ± 0.008°
• γ: 90°
• Cell volume: 1903 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No