Information card for entry 2020062

Structure parameters

• Chemical name: <i>tert</i>-Butyl 1''-methyl-2,2''-dioxo-4'-phenyl-5'-(<i>p</i>-tolyl)-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-1-carboxylate
• Formula: C37 H34 N2 O5
• Calculated formula: C37 H34 N2 O5
• SMILES: c12ccccc1[C@@]1(C(=O)N2C)[C@@]2([C@@H]([C@@H](c3ccc(cc3)C)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)OC(C)(C)C.c12ccccc1[C@]1(C(=O)N2C)[C@]2([C@H]([C@H](c3ccc(cc3)C)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)OC(C)(C)C
• Title of publication: Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity
• Authors of publication: Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• a: 10.1226 ± 0.0009 Å
• b: 14.3682 ± 0.0013 Å
• c: 21.353 ± 0.002 Å
• α: 90°
• β: 91.799 ± 0.002°
• γ: 90°
• Cell volume: 3104.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.059
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes