Information card for entry 7117679

Structure parameters

• Formula: C28 H26 F3 N O7 S2
• Calculated formula: C28 H26 F3 N O7 S2
• SMILES: S(=O)(=O)(OC(=C1\c2cc(C)ccc2N(S(=O)(=O)c2ccc(C)cc2)C1CC(=O)OCC)\c1ccccc1)C(F)(F)F
• 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: 10.689 ± 0.005 Å
• b: 16.049 ± 0.006 Å
• c: 16.697 ± 0.007 Å
• α: 90°
• β: 103.962 ± 0.009°
• γ: 90°
• Cell volume: 2780 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No