Information card for entry 7056542

Structure parameters

• Chemical name: 1'-Methyldispiro[cyclooctane-1,3'-pyrrolidine-2',2''-indene]-1'',2,3''-trione
• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• SMILES: c12c(C(=O)C3(N(CCC43CCCCCCC4=O)C)C2=O)cccc1
• Title of publication: Synthesis of penta- and tetra-cyclic cage-like compounds and dispiro heterocycles through microwave-assisted solvent-free multi-component domino reactions
• Authors of publication: Seeni, Maharani; Vivek Kumar, Sundaravel; Almansour, Abdulrahman Ibrahim; Kumar, Raju; K, Anitha; Raju, Ranjith Kumar
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 11009 - 11015
• a: 7.798 ± 0.004 Å
• b: 23.059 ± 0.003 Å
• c: 9.942 ± 0.002 Å
• α: 90°
• β: 111.31 ± 0.03°
• γ: 90°
• Cell volume: 1665.5 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0364
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No