Information card for entry 2236997

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: CN1C(=O)[C@]2(c3c1cccc3)[C@H](CN([C@@]12C(=O)Nc2c1cccc2)C)C(=O)OC.CN1C(=O)[C@@]2(c3c1cccc3)[C@@H](CN([C@]12C(=O)Nc2c1cccc2)C)C(=O)OC
• Title of publication: A triclinic polymorph of 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; Divakara, Chinthalapuri; Reddy, Boreddy S. R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3468 - o3469
• a: 9.4418 ± 0.0003 Å
• b: 10.0132 ± 0.0003 Å
• c: 12.8861 ± 0.0004 Å
• α: 67.465 ± 0.002°
• β: 88.237 ± 0.002°
• γ: 62.842 ± 0.001°
• Cell volume: 985.68 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes