Information card for entry 4125893

Structure parameters

• Formula: C16 H23 N O3
• Calculated formula: C16 H23 N O3
• SMILES: O[C@]12N3CCC[C@]41[C@]1([C@H](O)CC3)C(=O)C[C@H]4C[C@H](C2)C1.O[C@@]12N3CCC[C@@]41[C@@]1([C@@H](O)CC3)C(=O)C[C@@H]4C[C@@H](C2)C1
• 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: 11.4214 ± 0.0014 Å
• b: 8.8776 ± 0.001 Å
• c: 13.2732 ± 0.0013 Å
• α: 90°
• β: 95.132 ± 0.01°
• γ: 90°
• Cell volume: 1340.4 ± 0.3 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No