Information card for entry 1553570

Structure parameters

• Formula: C25 H23 N O3
• Calculated formula: C25 H23 N O3
• SMILES: O1C(=O)C(=C(Nc2ccc(cc2)C)C1)[C@@H](c1c(O)ccc(c1)C)c1ccccc1
• Title of publication: Catalytic asymmetric substitution of ortho-hydroxybenzyl alcohols with tetronic acid-derived enamines: enantioselective synthesis of tetronic acid-derived diarylmethanes
• Authors of publication: Xu, Meng-Meng; Wang, Hai-Qing; Wan, Ying; He, Guofeng; Yan, Jingjing; Zhang, Shu; Wang, Shu-Liang; Shi, Feng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 358
• a: 8.4091 ± 0.0001 Å
• b: 8.4091 ± 0.0001 Å
• c: 29.3175 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2073.13 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No