Information card for entry 7155478

Structure parameters

• Formula: C10 H13 N O
• Calculated formula: C10 H13 N O
• SMILES: O[C@H]1c2c(N[C@H](C)C1)cccc2
• Title of publication: Enantioselective synthesis of 1,2,3,4-tetrahydroquinoline-4-ols and 2,3-dihydroquinolin-4(1H)-ones via a sequential asymmetric hydroxylation/diastereoselective oxidation process using Rhodococcus equi ZMU-LK19.
• Authors of publication: Li, Ke; Wang, Juxiang; Wu, Kailin; Zheng, Daijun; Zhou, Xiaojian; Han, Wenyong; Wan, Nanwei; Cui, Baodong; Chen, Yongzheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 3580 - 3584
• a: 5.9842 ± 0.0001 Å
• b: 9.104 ± 0.0002 Å
• c: 16.0223 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 872.9 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No