Information card for entry 1544964

Structure parameters

• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: O[C@H]([C@H](c1c(OC)cccc1)C=C)c1ccc(cc1)N(=O)=O
• Title of publication: Double Chiral Induction Enables a Stereoselective Carbonyl Allylation with Simple Alkenes under the Sequential Catalysis of Palladium Complex and Chiral Phosphoric Acid.
• Authors of publication: Li, Lu-Lu; Tao, Zhong-Lin; Han, Zhi-Yong; Gong, Liu-Zhu
• Journal of publication: Organic letters
• Year of publication: 2016
• a: 5.6289 ± 0.0001 Å
• b: 16.3886 ± 0.0002 Å
• c: 17.0415 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1572.07 ± 0.04 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No