Information card for entry 7154929

Structure parameters

• Chemical name: 5
• Formula: C34 H35 N O4 S
• Calculated formula: C34 H35 N O4 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1cc(c(cc1/C(=C/CCC)C=C(c1ccccc1)c1ccccc1)OC)OC
• Title of publication: Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.
• Authors of publication: Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2515 - 2521
• a: 11.3232 ± 0.0012 Å
• b: 12.1598 ± 0.0013 Å
• c: 12.2434 ± 0.0013 Å
• α: 77.456 ± 0.001°
• β: 86.223 ± 0.001°
• γ: 69.24 ± 0.001°
• Cell volume: 1538.6 ± 0.3 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: 0.0934
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No