Information card for entry 7159516

Structure parameters

• Formula: C30 H20 Cl4 N2 O2
• Calculated formula: C30 H20 Cl4 N2 O2
• Title of publication: Enantioselective synthesis of 3-hydroxy- and 3-amino-3-alkynyl-2-oxindoles by the dimethylzinc-mediated addition of terminal alkynes to isatins and isatin-derived ketimines.
• Authors of publication: Prieto, Elena; Martín, Jorge D; Nieto, Javier; Andrés, Celia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 34
• Pages of publication: 6940 - 6948
• a: 12.1758 ± 0.0003 Å
• b: 5.3402 ± 0.0001 Å
• c: 21.8778 ± 0.0006 Å
• α: 90°
• β: 101.147 ± 0.003°
• γ: 90°
• Cell volume: 1395.68 ± 0.06 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No