Information card for entry 4033919

Structure parameters

• Chemical name: Dimethyl (3RS,5’RS)-5-bromo-2-oxo-1’,5’-diphenylspiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate
• Formula: C27 H23 Br N2 O5
• Calculated formula: C27 H23 Br N2 O5
• SMILES: Brc1cc2c(NC(=O)[C@@]32N(c2ccccc2)[C@@H](CC3(C(=O)OC)C(=O)OC)c2ccccc2)cc1.Brc1cc2c(NC(=O)[C@]32N(c2ccccc2)[C@H](CC3(C(=O)OC)C(=O)OC)c2ccccc2)cc1
• 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: 13.2965 ± 0.0018 Å
• b: 13.779 ± 0.0019 Å
• c: 14.0142 ± 0.0019 Å
• α: 80.486 ± 0.005°
• β: 67.315 ± 0.005°
• γ: 81.251 ± 0.005°
• Cell volume: 2325.3 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0477
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No