Information card for entry 1553378

Structure parameters

• Formula: C20 H18 N2 O4
• Calculated formula: C20 H18 N2 O4
• SMILES: c12ccccc1[nH]c1c2CCN2C1=C1C(C(C2)(CC)O)=C(C(=O)O1)C=O
• Title of publication: Alkaloids with Immunosuppressive Activity from the Bark of Pausinystalia yohimbe.
• Authors of publication: Liu, Ye; Yu, Heng-Yi; Xu, Hong-Zhe; Liu, Jun-Jun; Meng, Xiang-Gao; Zhou, Ming; Ruan, Han-Li
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 8
• Pages of publication: 1841 - 1849
• a: 10.596 ± 0.003 Å
• b: 19.264 ± 0.006 Å
• c: 16.921 ± 0.005 Å
• α: 90°
• β: 106.312 ± 0.005°
• γ: 90°
• Cell volume: 3314.9 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1486
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No