Information card for entry 7155295

Structure parameters

• Formula: C39 H35 F N2 O4
• Calculated formula: C39 H35 F N2 O4
• SMILES: Fc1ccc2N(Cc3ccccc3)C(=O)[C@](c2c1)([C@@H](O)C(=O)OCC)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1.Fc1ccc2N(Cc3ccccc3)C(=O)[C@@](c2c1)([C@H](O)C(=O)OCC)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
• Title of publication: A Rh(ii)-catalyzed three-component reaction of 3-diazooxindoles with N,N-disubstituted anilines and glyoxylates for the synthesis of 3-aryl-3-substituted oxindoles.
• Authors of publication: Jia, Shi-Kun; Song, Long-Long; Lei, Yu-Bing; Gopi Krishna Reddy, A.; Xing, Dong; Hu, Wen-Hao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 10157 - 10160
• a: 12.3506 ± 0.0005 Å
• b: 15.093 ± 0.0006 Å
• c: 17.7124 ± 0.0007 Å
• α: 90°
• β: 100.508 ± 0.002°
• γ: 90°
• Cell volume: 3246.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1551
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No