Information card for entry 2240445

Structure parameters

• Chemical name: Ethyl (2<i>S</i>,2'<i>R</i>)-1'-benzyl-3-oxo-3<i>H</i>-dispiro[1-benzothiophene-2,3'-pyrrolidine-2',11''-indeno[1,2-<i>b</i>]quinoxaline]-4'-carboxylate
• Formula: C35 H27 N3 O3 S
• Calculated formula: C35 H27 N3 O3 S
• Title of publication: Crystal structure of ethyl (2<i>S</i>,2'<i>R</i>)-1'-benzyl-3-oxo-3<i>H</i>-dispiro[1-benzothiophene-2,3'-pyrrolidine-2',11''-indeno[1,2-<i>b</i>]quinoxaline]-4'-carboxylate
• Authors of publication: Govindaraj, J.; Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o195 - o196
• a: 11.3893 ± 0.0005 Å
• b: 15.1181 ± 0.0007 Å
• c: 16.7136 ± 0.0007 Å
• α: 90°
• β: 100.766 ± 0.002°
• γ: 90°
• Cell volume: 2827.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0739
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes