Information card for entry 1566552

Structure parameters

• Formula: C17 H31 N O3
• Calculated formula: C17 H31 N O3
• SMILES: O[C@H]([C@H](O)/C=C/C=C/[C@H]1N([C@H]([C@H](O)CC1)C)C)CCCC
• Title of publication: Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>.
• Authors of publication: Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying
• Journal of publication: Journal of natural products
• Year of publication: 2022
• Journal volume: 85
• Journal issue: 2
• Pages of publication: 375 - 383
• a: 12.37896 ± 0.00019 Å
• b: 5.01515 ± 0.00014 Å
• c: 13.9105 ± 0.0003 Å
• α: 90°
• β: 99.1891 ± 0.0016°
• γ: 90°
• Cell volume: 852.51 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No