Information card for entry 7118349

Structure parameters

• Chemical name: (R)-5,7-dimethoxy-2,2,4-trimethyl-4-(1-tosyl-1H-indol-3-yl)-1,2,3,4-tetrahydroquinoline
• Formula: C29 H32 N2 O4 S
• Calculated formula: C29 H32 N2 O4 S
• SMILES: S(=O)(=O)(n1c2c(c(c1)[C@@]1(c3c(NC(C1)(C)C)cc(OC)cc3OC)C)cccc2)c1ccc(cc1)C
• Title of publication: The catalytic enantioselective synthesis of tetrahydroquinolines containing all-carbon quaternary stereocenters via the formation of aza-ortho-xylylene with 1,2-dihydroquinoline as a precursor.
• Authors of publication: Li, Guangxun; Liu, Hongxin; Wang, Yingwei; Zhang, Shiqi; Lai, Shujun; Tang, Ling; Zhao, Jinzhong; Tang, Zhuo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2304 - 2306
• a: 12.959 ± 0.0002 Å
• b: 7.94026 ± 0.00011 Å
• c: 14.0403 ± 0.0002 Å
• α: 90°
• β: 116.595 ± 0.002°
• γ: 90°
• Cell volume: 1291.86 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No