Information card for entry 4514376

Structure parameters

• Chemical name: N-(tert-butyl)-3'-(cyclohexanecarbonyl)-1-methyl -2-oxospiro[indoline-3,2'-thiazolidine]-4'-carboxamide
• Formula: C23 H33 N3 O4 S
• Calculated formula: C23 H33 N3 O4 S
• Title of publication: Sequential Multicomponent Strategy for the Diastereoselective Synthesis of Densely Functionalized Spirooxindole-Fused Thiazolidines.
• Authors of publication: Rainoldi, Giulia; Begnini, Fabio; de Munnik, Mariska; Lo Presti, Leonardo; Vande Velde, Christophe M. L.; Orru, Romano; Lesma, Giordano; Ruijter, Eelco; Silvani, Alessandra
• Journal of publication: ACS combinatorial science
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 2
• Pages of publication: 98 - 105
• a: 19.435 ± 0.0003 Å
• b: 13.112 ± 0.0004 Å
• c: 9.575 ± 0.0006 Å
• α: 90°
• β: 91.632 ± 0.0013°
• γ: 90°
• Cell volume: 2439.02 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No