Information card for entry 4033921

Structure parameters

• Chemical name: Dimethyl (3RS,5’RS)-5-bromo-2-oxo-1’-phenyl-5’-(p-tolyl)-spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate
• Formula: C28 H25 Br N2 O5
• Calculated formula: C28 H25 Br N2 O5
• SMILES: Brc1cc2[C@@]3(N(c4ccccc4)[C@@H](CC3(C(=O)OC)C(=O)OC)c3ccc(cc3)C)C(=O)Nc2cc1.Brc1cc2[C@]3(N(c4ccccc4)[C@H](CC3(C(=O)OC)C(=O)OC)c3ccc(cc3)C)C(=O)Nc2cc1
• 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: 10.3368 ± 0.0003 Å
• b: 11.0441 ± 0.0003 Å
• c: 11.4495 ± 0.0003 Å
• α: 92.369 ± 0.001°
• β: 100.655 ± 0.001°
• γ: 107.446 ± 0.001°
• Cell volume: 1218.91 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0606
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No