Information card for entry 4128148

Structure parameters

• Formula: C19 H23 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: O[C@]12C(=C)[C@@]3(C4=Nc5c([C@@]4([C@@H]1C)CCN(C3)C2)cccc5)C.O[C@]12[C@@H]([C@@]34C(=Nc5c3cccc5)[C@](C1=C)(CN(C2)CC4)C)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: 8.1557 ± 0.0004 Å
• b: 11.787 ± 0.0007 Å
• c: 16.3493 ± 0.0009 Å
• α: 85.937 ± 0.005°
• β: 89.698 ± 0.004°
• γ: 85.953 ± 0.004°
• Cell volume: 1563.82 ± 0.15 ų
• Cell temperature: 291.59 ± 0.1 K
• Ambient diffraction temperature: 291.59 ± 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: 0.0834
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No