Information card for entry 7154930

Structure parameters

• Chemical name: 6
• Formula: C34 H33 N O4 S
• Calculated formula: C34 H33 N O4 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)n1c(c(c2cc(c(cc12)OC)OC)C=C(c1ccccc1)c1ccccc1)CCC
• 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: 23.7576 ± 0.0014 Å
• b: 12.0212 ± 0.0007 Å
• c: 21.1978 ± 0.0013 Å
• α: 90°
• β: 107.987 ± 0.001°
• γ: 90°
• Cell volume: 5758.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No