Information card for entry 4033924

Structure parameters

• Chemical name: (3RS,3’RS,5’RS)-1’’-Methyl-1’,5’-diphenyldispiro[indoline-3,2’-pyrrolidine-3’,3’’-indoline]-2,2’’-dione
• Formula: C35 H37 N3 O4 S2
• Calculated formula: C35 H37 N3 O4 S2
• SMILES: O=C1N(c2c([C@]31[C@]1(N(c4ccccc4)[C@H](c4ccccc4)C3)C(=O)Nc3ccccc13)cccc2)C.S(=O)(C)C.S(=O)(C)C.O=C1N(c2c([C@@]31[C@@]1(N(c4ccccc4)[C@@H](c4ccccc4)C3)C(=O)Nc3ccccc13)cccc2)C.S(=O)(C)C.S(=O)(C)C
• Title of publication: Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].
• Authors of publication: Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 6
• Pages of publication: 3340 - 3356
• a: 9.9951 ± 0.0008 Å
• b: 33.343 ± 0.003 Å
• c: 10.4541 ± 0.0008 Å
• α: 90°
• β: 113.228 ± 0.001°
• γ: 90°
• Cell volume: 3201.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No