Information card for entry 7117785

Structure parameters

• Formula: C32 H30 F N O5
• Calculated formula: C32 H30 F N O5
• SMILES: Fc1ccc([C@@H](CC(=C\2C(=O)N(c3c2cccc3)C(=O)OC(C)(C)C)\c2ccccc2)C(=C)C(=O)OC)cc1
• Title of publication: An asymmetric allylic alkylation reaction of 3-alkylidene oxindoles
• Authors of publication: Junjun Feng; Xin Li; Jin-Pei Cheng
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14342
• a: 11.665 ± 0.002 Å
• b: 18.047 ± 0.003 Å
• c: 13.71 ± 0.003 Å
• α: 90°
• β: 106.488 ± 0.005°
• γ: 90°
• Cell volume: 2767.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0375
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No