Information card for entry 4033922

Structure parameters

• Chemical name: (3RS,4’RS,5’RS)-1’’-Methyl-1’,5’-diphenyldispiro[indoline-3,2’-pyrrolidine-4’,3’’-indoline]-2,2’’-dione
• Formula: C33 H31 N3 O3 S
• Calculated formula: C33 H31 N3 O3 S
• SMILES: O=C1N(C)c2ccccc2[C@@]21[C@H](N(c1ccccc1)[C@@]1(c3ccccc3NC1=O)C2)c1ccccc1.O=C1N(C)c2ccccc2[C@]21[C@@H](N(c1ccccc1)[C@]1(c3ccccc3NC1=O)C2)c1ccccc1.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: 11.1221 ± 0.0002 Å
• b: 16.7305 ± 0.0003 Å
• c: 16.8112 ± 0.0003 Å
• α: 63.004 ± 0.001°
• β: 89.656 ± 0.001°
• γ: 82.779 ± 0.001°
• Cell volume: 2760.62 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No