Information card for entry 4128149

Structure parameters

• Formula: C17 H21 N O2
• Calculated formula: C17 H21 N O2
• SMILES: O=C1[C@@]2(CN(C[C@H]1[C@@H](CC2=O)C)Cc1ccccc1)C.O=C1[C@]2(CN(C[C@@H]1[C@H](CC2=O)C)Cc1ccccc1)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: 23.649 ± 0.003 Å
• b: 7.8636 ± 0.0004 Å
• c: 20.272 ± 0.002 Å
• α: 90°
• β: 126.277 ± 0.018°
• γ: 90°
• Cell volume: 3039.2 ± 0.9 ų
• Cell temperature: 290.7 ± 0.16 K
• Ambient diffraction temperature: 290.7 ± 0.16 K
• Number of distinct elements: 4
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No