Information card for entry 7154931

Structure parameters

• Chemical name: 7
• Formula: C37 H29 N O5 S
• Calculated formula: C37 H29 N O5 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)n1c2cc(c(cc2c2c3ccc(cc3C3(c4ccccc4c4ccccc34)c12)OC)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: 10.4254 ± 0.0008 Å
• b: 10.7238 ± 0.0008 Å
• c: 15.1044 ± 0.0011 Å
• α: 76.055 ± 0.001°
• β: 80.857 ± 0.001°
• γ: 63.868 ± 0.001°
• Cell volume: 1468.68 ± 0.19 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: 0.0789
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No