Information card for entry 7158760

Structure parameters

• Chemical name: (2'R,3S,4'S)-di-tert-butyl 6-chloro-4'-((3-methyl-4-nitroisoxazol-5-yl)methyl)-2-oxo-1'-tosyl-2',4'-dihydro-1'H-spiro[indoline-3,3'-quinoline]-1,2'-dicarboxylate
• Formula: C38 H39 Cl N4 O10 S
• Calculated formula: C38 H39 Cl N4 O10 S
• Title of publication: Enantioselective synthesis of isoxazole-containing spirooxindole tetrahydroquinolines <i>via</i> squaramide-catalysed cascade reactions.
• Authors of publication: Li, Tong-Hao; Niu, Cheng; Du, Da-Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 28
• Pages of publication: 5582 - 5588
• a: 10.2003 ± 0.0006 Å
• b: 9.935 ± 0.0005 Å
• c: 19.3125 ± 0.001 Å
• α: 90°
• β: 97.101 ± 0.001°
• γ: 90°
• Cell volume: 1942.12 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No