Information card for entry 7243643

Structure parameters

• Formula: C20 H23 N2 O4 S
• Calculated formula: C20 H22 N2 O4 S
• SMILES: S(=O)(=O)(/N=C1/N(c2ccccc2[C@](O)([C@@H]1C(=O)C)C)C)c1ccc(cc1)C.S(=O)(=O)(/N=C1/N(c2ccccc2[C@@](O)([C@H]1C(=O)C)C)C)c1ccc(cc1)C
• Title of publication: A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines
• Authors of publication: Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 50
• Pages of publication: 31152 - 31158
• a: 33.074 ± 0.019 Å
• b: 7.648 ± 0.004 Å
• c: 16.25 ± 0.009 Å
• α: 90°
• β: 111.766 ± 0.006°
• γ: 90°
• Cell volume: 3817 ± 4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No