Information card for entry 7117678

Structure parameters

• Formula: C27 H27 N O5 S
• Calculated formula: C27 H27 N O5 S
• SMILES: S(=O)(=O)(N1c2c([C@H](C(=O)c3ccccc3)[C@H]1CC(=O)OCC)cc(cc2)C)c1ccc(C)cc1.S(=O)(=O)(N1c2c([C@@H](C(=O)c3ccccc3)[C@@H]1CC(=O)OCC)cc(cc2)C)c1ccc(C)cc1
• Title of publication: Stereoselective synthesis of 2,3-disubstituted indoline, pyrrolidine and cyclic ether-fused 1,2-dihydroquinoline derivatives using alkyne iminium ion cyclization of vinylogous carbamates: switch of regioselectivity using an internal hydroxy group as a nucleophile
• Authors of publication: Santosh J. Gharpure; V. Prasath; Vinod Kumar
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13623
• a: 9.687 ± 0.013 Å
• b: 10.731 ± 0.008 Å
• c: 12.624 ± 0.012 Å
• α: 99.142 ± 0.009°
• β: 109.67 ± 0.04°
• γ: 102.46 ± 0.02°
• Cell volume: 1168 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No