Information card for entry 2236767

Structure parameters

• Chemical name: Methyl (3<i>S</i>,3'<i>R</i>)-1-methyl-2,2''-dioxo-1',2',3',5',6',7',8',8a'- octahydrodispiro[indoline-3,2'-indolizine-3',3''-indoline]-1'-carboxylate
• Formula: C25 H25 N3 O4
• Calculated formula: C25 H25 N3 O4
• SMILES: C1CCC[C@@H]2[C@H]([C@]3([C@]4(c5ccccc5NC4=O)N12)c1ccccc1N(C3=O)C)C(=O)OC.C1CCC[C@H]2[C@@H]([C@@]3([C@@]4(c5ccccc5NC4=O)N12)c1ccccc1N(C3=O)C)C(=O)OC
• Title of publication: Methyl (3<i>S</i>,3'<i>R</i>)-1-methyl-2,2''-dioxo-1',2',3',5',6',7',8',8a'-octahydrodispiro[indoline-3,2'-indolizine-3',3''-indoline]-1'-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: o2901
• a: 10.0516 ± 0.0003 Å
• b: 17.9539 ± 0.0006 Å
• c: 12.4471 ± 0.0004 Å
• α: 90°
• β: 105.347 ± 0.002°
• γ: 90°
• Cell volume: 2166.17 ± 0.12 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: 0.0853
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes