Information card for entry 1553968

Structure parameters

• Formula: C26 H27 N O3
• Calculated formula: C26 H27 N O3
• SMILES: O([C@H]1[C@@H](c2c(cc(OC)cc2)[C@H](Nc2ccccc2)C1)C(=O)c1ccccc1)CC.O([C@@H]1[C@H](c2c(cc(OC)cc2)[C@@H](Nc2ccccc2)C1)C(=O)c1ccccc1)CC
• Title of publication: A silver-catalyzed three-component reaction via stabilized cation: synthesis of polysubstituted tetrahydronaphthols and tetrahydronaphthylamines
• Authors of publication: Luo, Hejiang; Liang, Renxiao; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 1160
• a: 9.2089 ± 0.0003 Å
• b: 10.5763 ± 0.0004 Å
• c: 10.9769 ± 0.0004 Å
• α: 100.503 ± 0.003°
• β: 95.221 ± 0.003°
• γ: 91.16 ± 0.003°
• Cell volume: 1046.09 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No