Information card for entry 7151683

Structure parameters

• Formula: C20 H17 N3 O8
• Calculated formula: C20 H17 N3 O8
• SMILES: [C@H]12C[C@](C(=O)N1[C@@H](CO2)c1ccccc1)(C(=O)OC)c1c(cc(cc1)N(=O)=O)N(=O)=O
• Title of publication: Enantioselective synthesis of spirooxoindoles via chiral auxiliary (bicyclic lactam) controlled SNAr reactions.
• Authors of publication: Sen, Subhabrata; Potti, Venkata R.; Surakanti, Ramu; Murthy, Y. L. N.; Pallepogu, Raghavaiah
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 358 - 360
• a: 9.7745 ± 0.0006 Å
• b: 9.7915 ± 0.0004 Å
• c: 20.5118 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1963.12 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No