Information card for entry 4035313

Structure parameters

• Formula: C24 H22 Cl2 N2 O7
• Calculated formula: C24 H22 Cl2 N2 O7
• SMILES: c1(ccc2c(c1)[C@](C(=O)N2C)([C@]1(C(=O)c2cc(ccc2O1)Cl)C(=O)OC)NC(=O)OC(C)(C)C)Cl
• Title of publication: Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.
• Authors of publication: Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 16
• Pages of publication: 8936 - 8952
• a: 9.6425 ± 0.001 Å
• b: 12.1438 ± 0.0014 Å
• c: 20.772 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2432.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1162
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No