Information card for entry 1547129

Structure parameters

• Formula: C18 H29 N O8
• Calculated formula: C18 H29 N O8
• SMILES: [C@H]1([C@H](C=C2CCN3(Cc4cc(c(cc4[C@H]1[C@@H]23)OC)OC)=O)OC)O.O.O.O
• Title of publication: Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.
• Authors of publication: Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 2462 - 2471
• a: 9.535 ± 0.0003 Å
• b: 7.4498 ± 0.0002 Å
• c: 14.7161 ± 0.0004 Å
• α: 90°
• β: 103.488 ± 0.001°
• γ: 90°
• Cell volume: 1016.51 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0317
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No