Information card for entry 7224275

Structure parameters

• Formula: C25 H25 N2 O2
• Calculated formula: C25 H28 N2 O2
• SMILES: O=C1C(=C(Nc2ccc(C)cc2)CCC1)C1N(CCCC)C(=O)c2c1cccc2
• 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: 8.5334 ± 0.0005 Å
• b: 10.8799 ± 0.0007 Å
• c: 12.6877 ± 0.0008 Å
• α: 69.923 ± 0.002°
• β: 79.961 ± 0.002°
• γ: 84.106 ± 0.002°
• Cell volume: 1088.27 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No