Information card for entry 7117683

Structure parameters

• Formula: C27 H29 N O4 S
• Calculated formula: C27 H29 N O4 S
• SMILES: S(=O)(=O)(N1c2ccc(C)cc2[C@@H]([C@H]1CC(=O)OCC)Cc1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1c2ccc(C)cc2[C@@H](Cc2ccccc2)[C@@H]1CC(=O)OCC)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: 8.05 ± 0.002 Å
• b: 16.385 ± 0.004 Å
• c: 18.274 ± 0.005 Å
• α: 94.603 ± 0.004°
• β: 93.801 ± 0.005°
• γ: 94.487 ± 0.004°
• Cell volume: 2388.8 ± 1.1 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: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No