Information card for entry 7222374

Structure parameters

• Formula: C22 H18.5 N3 O3
• Calculated formula: C22 H19 N3 O3
• SMILES: O=C1N(CC#C)c2c(C31C1=C(OC(=C3C#N)N)CC(CC1=O)(C)C)cccc2
• Title of publication: ZrO2 nanoparticles as a reusable solid dual acid-base catalyst for facile one-pot synthesis of multi-functionalized spirooxindole derivatives under solvent free condition
• Authors of publication: Pramanik, Animesh; Bodhak, Chandan; Kundu, Ashis
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 24.313 ± 0.012 Å
• b: 8.91 ± 0.005 Å
• c: 17.683 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3831 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No