Information card for entry 2213204

Structure parameters

• Chemical name: Ethyl 2-(1H-indol-3-yl)-5-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]- 4-nitro-3-(p-tolyl)pyrrolidine-2-carboxylate
• Formula: C39 H38 N4 O6
• Calculated formula: C39 H38 N4 O6
• SMILES: [C@@]1([C@@H]([C@H]([C@@H]([C@@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(cc2)OC)N1)N(=O)=O)c1ccc(cc1)C)(Cc1c[nH]c2ccccc12)C(=O)OCC.[C@]1([C@H]([C@@H]([C@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(cc2)OC)N1)N(=O)=O)c1ccc(cc1)C)(Cc1c[nH]c2ccccc12)C(=O)OCC
• Title of publication: Ethyl 2-(1<i>H</i>-indol-3-yl)-5-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-4-nitro-3-(<i>p</i>-tolyl)pyrrolidine-2-carboxylate
• Authors of publication: G. T. Sruthi; D. Gayathri; D. Velmurugan; K. Ravikumar; N. Arumugam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2221 - o2223
• a: 11.2689 ± 0.0008 Å
• b: 35.612 ± 0.002 Å
• c: 8.8848 ± 0.0006 Å
• α: 90°
• β: 99.785 ± 0.001°
• γ: 90°
• Cell volume: 3513.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes