Information card for entry 7153996

Structure parameters

• Formula: C27 H34 N2 O5
• Calculated formula: C27 H34 N2 O5
• SMILES: O(C(=O)N1c2c([C@@]3([C@H]1N(C(=O)OC(C)(C)C)CC3)c1ccc(OC)cc1)cccc2)C(C)(C)C.O(C(=O)N1c2c([C@]3([C@@H]1N(C(=O)OC(C)(C)C)CC3)c1ccc(OC)cc1)cccc2)C(C)(C)C
• 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: 15.1024 ± 0.0009 Å
• b: 14.8289 ± 0.0008 Å
• c: 11.8933 ± 0.0007 Å
• α: 90°
• β: 105.668 ± 0.0017°
• γ: 90°
• Cell volume: 2564.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No