Information card for entry 2236146

Structure parameters

• Chemical name: Methyl (3<i>R</i>*,3'<i>S</i>*)-1',1''-dimethyl-2,2''-dioxodispiro[indoline- 3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate
• Formula: C22 H21 N3 O4
• Calculated formula: C22 H21 N3 O4
• SMILES: C1[C@@H]([C@@]2([C@@]3(c4ccccc4NC3=O)N1C)c1ccccc1N(C2=O)C)C(=O)OC.C1[C@H]([C@]2([C@]3(c4ccccc4NC3=O)N1C)c1ccccc1N(C2=O)C)C(=O)OC
• Title of publication: Methyl (3<i>R</i>*,3'<i>S</i>*)-1',1''-dimethyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate
• Authors of publication: Ganesh, G.; Yuvaraj, Panneer Selvam; Govindan, E.; Reddy, Boreddy S. R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2902 - o2903
• a: 9.8244 ± 0.0004 Å
• b: 12.7193 ± 0.0005 Å
• c: 15.763 ± 0.0006 Å
• α: 90°
• β: 95.474 ± 0.002°
• γ: 90°
• Cell volume: 1960.75 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes