Information card for entry 4031762

Structure parameters

• Formula: C31 H27 N3 O3
• Calculated formula: C31 H27 N3 O3
• SMILES: O(c1ccc2N[C@@H]([C@H]([C@@H](c2c1)c1[nH]c2c(c1C)cccc2)c1ccccc1)c1ccc(N(=O)=O)cc1)C
• Title of publication: Application of 3-Methyl-2-vinylindoles in Catalytic Asymmetric Povarov Reaction: Diastereo- and Enantioselective Synthesis of Indole-Derived Tetrahydroquinolines.
• Authors of publication: Dai, Wei; Jiang, Xiao-Li; Tao, Ji-Yu; Shi, Feng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 1
• Pages of publication: 185 - 192
• a: 6.5466 ± 0.0002 Å
• b: 9.2228 ± 0.0003 Å
• c: 20.4337 ± 0.0007 Å
• α: 90°
• β: 98.265 ± 0.002°
• γ: 90°
• Cell volume: 1220.93 ± 0.07 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No