Information card for entry 2237364

Structure parameters

• Chemical name: <i>rac</i>-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: O=C1[C@@]2(N(C)C[C@@H]([C@]32C(=O)N(c2c3cccc2)C)C(=O)OC)c2c3c1cccc3ccc2.O=C1[C@]2(N(C)C[C@H]([C@@]32C(=O)N(c2c3cccc2)C)C(=O)OC)c2c3c1cccc3ccc2
• Title of publication: <i>rac</i>-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, G.; Yuvaraj, Panneer Selvam; Divakara, Chinthalapuri; Reddy, Boreddy S. R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o235
• a: 15.4839 ± 0.0004 Å
• b: 9.5832 ± 0.0002 Å
• c: 15.6375 ± 0.0004 Å
• α: 90°
• β: 115.184 ± 0.001°
• γ: 90°
• Cell volume: 2099.81 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes