Information card for entry 4125856

Structure parameters

• Formula: C17 H25 N O3
• Calculated formula: C17 H25 N O3
• SMILES: O=C1[C@]23CCCN(CC[C@@H](O)[C@@]42C[C@H](C1)C[C@H]3CC4=O)C.O=C1[C@@]23CCCN(CC[C@H](O)[C@@]42C(=O)C[C@H]3C[C@H](C1)C4)C
• Title of publication: Total Synthesis of Lycopodium Alkaloids Palhinine A and Palhinine D.
• Authors of publication: Wang, Fang-Xin; Du, Ji-Yuan; Wang, Hui-Bin; Zhang, Peng-Lin; Zhang, Guo-Biao; Yu, Ke-Yin; Zhang, Xiang-Zhi; An, Xian-Tao; Cao, Ye-Xing; Fan, Chun-An
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 12
• Pages of publication: 4282 - 4285
• a: 18.3993 ± 0.0006 Å
• b: 7.78611 ± 0.00018 Å
• c: 20.8816 ± 0.0006 Å
• α: 90°
• β: 90.719 ± 0.003°
• γ: 90°
• Cell volume: 2991.24 ± 0.15 ų
• Cell temperature: 273.77 ± 0.1 K
• Ambient diffraction temperature: 273.77 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No