Information card for entry 1511875

Structure parameters

• Formula: C32 H28 N2 O9
• Calculated formula: C32 H28 N2 O9
• SMILES: C1(=O)C2(c3ccccc3N1Cc1ccccc1)C(=C(C(C(=O)OC)(C(=O)OC)N2c1ccccc1)C(=O)OC)C(=O)OC
• 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: 7.9805 ± 0.0011 Å
• b: 19.764 ± 0.003 Å
• c: 17.862 ± 0.003 Å
• α: 90°
• β: 99.901 ± 0.002°
• γ: 90°
• Cell volume: 2775.4 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No