Information card for entry 1544264

Structure parameters

• Formula: C21 H23 N O5
• Calculated formula: C21 H23 N O5
• SMILES: O(c1ccc(C2CC(Nc3ccc(cc23)C)(C(=O)OC)C(=O)OC)cc1)C
• Title of publication: Lewis Acid and (Hypo)iodite Relay Catalysis Allows a Strategy for the Synthesis of Polysubstituted Azetidines and Tetrahydroquinolines.
• Authors of publication: Han, Jing-Qiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 5212
• a: 9.996 ± 0.003 Å
• b: 10.556 ± 0.002 Å
• c: 11.033 ± 0.002 Å
• α: 69.226 ± 0.019°
• β: 73.09 ± 0.02°
• γ: 65.04 ± 0.02°
• Cell volume: 973 ± 0.4 ų
• Cell temperature: 295.37 ± 0.1 K
• Ambient diffraction temperature: 295.37 ± 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: 0.1119
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No