Information card for entry 4035314

Structure parameters

• Formula: C24 H23 Cl N2 O7
• Calculated formula: C24 H23 Cl N2 O7
• SMILES: c1(cc2c(cc1)O[C@](C2=O)(C(=O)OC)[C@]1(C(=O)N(c2ccccc12)C)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: 9.6537 ± 0.0004 Å
• b: 10.4079 ± 0.0004 Å
• c: 23.45 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2356.13 ± 0.16 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: 0.0375
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No