Information card for entry 7157701

Structure parameters

• Chemical name: (3R,3'S,4'R,4a'S,9a'R)-1-(tert-Butyl) 3'-ethyl 3''-benzyl-2,4'',9'-trioxo-2''-thioxo-4a',9a'- dihydro-1'H,3'H,9'H-dispiro[indoline-3,2'-xanthene-4',5''-thiazolidine]-1,3'-dicarboxylate
• Formula: C37 H34 N2 O8 S2
• Calculated formula: C37 H34 N2 O8 S2
• Title of publication: An organocatalytic domino Michael addition strategy: construction of bispiro[oxindole-thiazolidinone-hexahydroxanthone]s with five contiguous stereocenters.
• Authors of publication: Song, Yong-Xing; Lin, Ye; Yan, Li; Du, Da-Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 37
• Pages of publication: 7373 - 7378
• a: 34.292 ± 0.005 Å
• b: 8.1908 ± 0.0013 Å
• c: 16.147 ± 0.003 Å
• α: 90°
• β: 111.061 ± 0.005°
• γ: 90°
• Cell volume: 4232.4 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No