Information card for entry 1511874

Structure parameters

• Chemical name: Dimethyl 1-allyl-2'-(4-nitrophenyl)-2-oxo-3'-(p-tolyl)spiro[indoline-3,4' -oxazolidine]-5',5'-dicarboxylate
• Formula: C30 H27 N3 O8
• Calculated formula: C30 H27 N3 O8
• SMILES: [C@@H]1(c2ccc(cc2)N(=O)=O)N([C@]2(C(C(=O)OC)(C(=O)OC)O1)C(=O)N(c1ccccc21)CC=C)c1ccc(cc1)C.[C@H]1(c2ccc(cc2)N(=O)=O)N([C@@]2(C(C(=O)OC)(C(=O)OC)O1)C(=O)N(c1ccccc21)CC=C)c1ccc(cc1)C
• Title of publication: Dual Behavior of Isatin-Based Cyclic Ketimines with Dicarbomethoxy Carbene: Expedient Synthesis of Highly Functionalized Spirooxindolyl Oxazolidines and Pyrrolines
• Authors of publication: Rajasekaran, T.; Karthik, G.; Sridhar, B.; Subba Reddy, B. V.
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 1512
• a: 22.5171 ± 0.0011 Å
• b: 13.122 ± 0.0006 Å
• c: 21.6558 ± 0.001 Å
• α: 90°
• β: 118.366 ± 0.001°
• γ: 90°
• Cell volume: 5630.3 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No