Information card for entry 7155885

Structure parameters

• Formula: C21 H23 N O4
• Calculated formula: C21 H23 N O4
• SMILES: C1(=O)N(C)c2c([C@]1(CC=C)c1c(OC)cc(OC)cc1OC)cccc2
• Title of publication: Enantioselective synthesis of sterically hindered α-allyl–α-aryl oxindoles via palladium-catalysed decarboxylative asymmetric allylic alkylation
• Authors of publication: Jackson, Mark; O'Broin, Calvin Quince; Müller-Bunz, Helge; Guiry, Patrick J.
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 8.75356 ± 0.00007 Å
• b: 8.85744 ± 0.00005 Å
• c: 24.746 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1918.66 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No