Information card for entry 7109161

Structure parameters

• Formula: C25 H32 N2 O3
• Calculated formula: C25 H32 N2 O3
• SMILES: COc1ccc(cc1)N1C=C([C@@H]([C@@H]([C@H]1CC(C)C)N(=O)=O)c1ccccc1)C(C)C.COc1ccc(cc1)N1C=C([C@H]([C@H]([C@@H]1CC(C)C)N(=O)=O)c1ccccc1)C(C)C
• Title of publication: A highly efficient access to enantiopure tetrahydropyridines: dual-organocatalyst-promoted asymmetric cascade reaction
• Authors of publication: Hua Lin; Yu Tan; Wen-Jie Liu; Zhi-Cheng Zhang; Xing-Wen Sun; Guo-Qiang Lin
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4024
• a: 11.4633 ± 0.0015 Å
• b: 17.645 ± 0.002 Å
• c: 12.4407 ± 0.0017 Å
• α: 90°
• β: 113.204 ± 0.002°
• γ: 90°
• Cell volume: 2312.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No