Information card for entry 7155156

Structure parameters

• Formula: C24 H24 N2 O3
• Calculated formula: C24 H24 N2 O3
• SMILES: O=C1c2c(C(=O)C31[C@H](N1N([C@H]3c3ccccc3)CCC1=O)CC(C)C)cccc2.O=C1c2c(C(=O)C31[C@@H](N1N([C@@H]3c3ccccc3)CCC1=O)CC(C)C)cccc2
• Title of publication: Organocatalytic azomethine imine-olefin click reaction: high-yielding stereoselective synthesis of spiroindane-1,3-dione-pyrazolidinones.
• Authors of publication: Ramachary, Dhevalapally B.; Prabhakar Reddy, T.; Suresh Kumar, A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 27
• Pages of publication: 6517 - 6522
• a: 12.1612 ± 0.0018 Å
• b: 12.2372 ± 0.0019 Å
• c: 14.9998 ± 0.002 Å
• α: 90°
• β: 111.703 ± 0.004°
• γ: 90°
• Cell volume: 2074 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No