Information card for entry 7159629

Structure parameters

• Formula: C20 H20 Cl N O4
• Calculated formula: C20 H20 Cl N O4
• SMILES: Clc1cc2C(O)(C(=O)N(C(=O)OC(C)(C)C)c2cc1)Cc1ccccc1
• Title of publication: Direct organocatalytic transfer hydrogenation and C-H oxidation: high-yielding synthesis of 3-hydroxy-3-alkyloxindoles.
• Authors of publication: Roy, Pritam; Anjum, S. Rehana; Sanwal, Shyam D.; Ramachary, Dhevalapally B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 41
• Pages of publication: 8335 - 8343
• a: 11.028 ± 0.005 Å
• b: 24.273 ± 0.011 Å
• c: 8.467 ± 0.004 Å
• α: 90°
• β: 123.455 ± 0.013°
• γ: 90°
• Cell volume: 1891 ± 1.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.26 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.2097
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No