Information card for entry 7153995

Structure parameters

• Formula: C22 H18 Cl3 N O2
• Calculated formula: C22 H18 Cl3 N O2
• SMILES: Oc1c(cc(cc1)C)C1(c2ccccc2)c2c(NC1=O)cccc2.ClC(Cl)Cl
• Title of publication: Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.
• Authors of publication: Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 41
• Pages of publication: 8152 - 8173
• a: 8.91 ± 0.003 Å
• b: 9.482 ± 0.003 Å
• c: 14.09 ± 0.005 Å
• α: 101.315 ± 0.016°
• β: 101.159 ± 0.016°
• γ: 110.48 ± 0.017°
• Cell volume: 1048 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No