Information card for entry 1505235

Structure parameters

• Chemical name: (3-phenyl-1H-indene)-1-spiro-3'-(indolin-2'-one)
• Formula: C22 H15 N O
• Calculated formula: C22 H15 N O
• SMILES: O=C1Nc2c(C31c1c(cccc1)C(=C3)c1ccccc1)cccc2
• Title of publication: Simple and one-pot protocol for synthesis of indene-spiro-oxindoles involving tandem Prins and Friedel-Crafts reactions.
• Authors of publication: Basavaiah, Deevi; Reddy, Kanumuri Ramesh
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 57 - 60
• a: 12.2411 ± 0.0009 Å
• b: 8.0506 ± 0.0006 Å
• c: 16.9934 ± 0.0012 Å
• α: 90°
• β: 97.352 ± 0.001°
• γ: 90°
• Cell volume: 1660.9 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.051
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No