Information card for entry 4033923

Structure parameters

• Chemical name: Dimethyl (3RS,5’RS)-2-oxo-1’-phenyl-5’-(p-tolyl)spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate
• Formula: C28 H26 N2 O5
• Calculated formula: C28 H26 N2 O5
• SMILES: O(C(=O)C1(C[C@@H](N(c2ccccc2)[C@@]21c1ccccc1NC2=O)c1ccc(cc1)C)C(=O)OC)C.O(C(=O)C1(C[C@H](N(c2ccccc2)[C@]21c1ccccc1NC2=O)c1ccc(cc1)C)C(=O)OC)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: 10.2975 ± 0.0006 Å
• b: 10.7029 ± 0.0006 Å
• c: 11.6095 ± 0.0006 Å
• α: 107.177 ± 0.002°
• β: 97.379 ± 0.002°
• γ: 100.333 ± 0.002°
• Cell volume: 1180.01 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No