Information card for entry 1546435

Structure parameters

• Chemical name: (trans)-Ethyl 1-benzoyl-2-phenylindoline-3-carboxylate
• Formula: C24 H21 N O3
• Calculated formula: C24 H21 N O3
• SMILES: [C@@H]1([C@@H](c2ccccc2N1C(=O)c1ccccc1)C(=O)OCC)c1ccccc1.[C@H]1([C@H](c2ccccc2N1C(=O)c1ccccc1)C(=O)OCC)c1ccccc1
• Title of publication: A sustainable synthesis of 2-aryl-3-carboxylate indolines from N-aryl enamines under visible light irradiation
• Authors of publication: Wu, Cheng-Juan; Cao, Wen-Xiao; Lei, Tao; Li, Zhi-Hua; Meng, Qing-Yuan; Yang, Xiu-Long; Chen, Bin; Ramamurthy, Vaidhyanathan; Tung, Chen-Ho; Wu, Li-Zhu
• Journal of publication: Chemical Communications
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 59
• Pages of publication: 8320 - 8323
• a: 17.0796 ± 0.0014 Å
• b: 13.6704 ± 0.0008 Å
• c: 18.9052 ± 0.0013 Å
• α: 90°
• β: 116.272 ± 0.009°
• γ: 90°
• Cell volume: 3958.1 ± 0.6 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 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: 0.0746
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No