Information card for entry 2208835

Structure parameters

• Chemical name: 3-Acetyl-4-furyl-1-methylspiro[pyrrolidine-2.2'-indol]-2'(3'H)-one
• Formula: C18 H18 N2 O3
• Calculated formula: C18 H18 N2 O3
• SMILES: CC(=O)[C@H]1[C@@H](CN([C@@]21C(=O)Nc1c2cccc1)C)c1ccco1
• Title of publication: 3-Acetyl-4-furyl-1-methylspiro[pyrrolidine-2,2'-indol]-2'(3'<i>H</i>)-one
• Authors of publication: A. Subbiahpandi; D. Velmurugan; K. Ravikumar; R. R. Durga; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1964 - o1965
• a: 7.7404 ± 0.0006 Å
• b: 10.0227 ± 0.0007 Å
• c: 20.5622 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1595.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes