Information card for entry 4128145

Structure parameters

• Formula: C19 H25 N O4
• Calculated formula: C19 H25 N O4
• SMILES: O=C1[C@]2([C@@H](O)[C@](CN(C2)Cc2ccccc2)([C@H](C1)C)C(=O)OC)C.O=C1[C@@]2([C@H](O)[C@@](CN(C2)Cc2ccccc2)([C@@H](C1)C)C(=O)OC)C
• Title of publication: Enantioselective Total Synthesis of (+)-Arboridinine.
• Authors of publication: Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 17
• Pages of publication: 7147 - 7154
• a: 13.1415 ± 0.0011 Å
• b: 10.9429 ± 0.0007 Å
• c: 12.8855 ± 0.0009 Å
• α: 90°
• β: 113.53 ± 0.009°
• γ: 90°
• Cell volume: 1698.9 ± 0.2 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.115
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No