Information card for entry 4035761

Structure parameters

• Formula: C22 H21 N O7
• Calculated formula: C22 H21 N O7
• SMILES: O1c2c(OC1)cc(C=c1nc(OC)c3c1ccc(OC)c3OC)c(c2)CC(=O)OC
• Title of publication: Regio- and Stereoselective Electrophilic Cyclization Approach for the Protecting-Group-Free Synthesis of Alkaloids Lennoxamine, Chilenine, Fumaridine, 8-Oxypseudoplamatine, and 2- O-(Methyloxy)fagaronine.
• Authors of publication: Yao, Tuanli; Guo, Zhen; Liang, Xiujuan; Qi, Lihan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 21
• Pages of publication: 13370 - 13380
• a: 14.4582 ± 0.0006 Å
• b: 7.4973 ± 0.0003 Å
• c: 23.2194 ± 0.0007 Å
• α: 90°
• β: 128.512 ± 0.002°
• γ: 90°
• Cell volume: 1969.44 ± 0.14 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: 0.2153
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No