Information card for entry 2237451

Structure parameters

• Chemical name: Methyl (1<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxo-2<i>H</i>-dispiro[acenaphthylene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate
• Formula: C26 H22 N2 O4
• Calculated formula: C26 H22 N2 O4
• SMILES: CN1C[C@@H]([C@]2([C@]31C(=O)c1cccc4c1c3ccc4)C(=O)N(c1c2cccc1)C)C(=O)OC.CN1C[C@H]([C@@]2([C@@]31C(=O)c1cccc4c1c3ccc4)C(=O)N(c1c2cccc1)C)C(=O)OC
• Title of publication: A diastereomer of methyl (1<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxo-2<i>H</i>-dispiro[acenaphthylene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate
• Authors of publication: Ganesh, Gnanavelu; Yuvaraj, PanneerSelvam; Kannan, Piskala Subburaman; Reddy, Boreddy Siva Rami; SubbiahPandi, Arunachalathevar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o441
• a: 27.2997 ± 0.0015 Å
• b: 9.7923 ± 0.0006 Å
• c: 15.8557 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4238.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes