Information card for entry 1548710

Structure parameters

• Formula: C16 H25 N O4
• Calculated formula: C16 H25 N O4
• SMILES: O[C@@H]1OC(=O)[C@@H]([C@H]1C(C)C)[C@H]1[C@]2(C(=O)N(C)C[C@H]2CC1)C
• Title of publication: Seco-Dendrobine-Type Alkaloids and Bioactive Phenolics from Dendrobium findlayanum
• Authors of publication: Yang, Dan; Cheng, Zhong-Quan; Yang, Liu; Hou, Bo; Yang, Jing; Li, Xiao-Nian; Zi, Cheng-Ting; Dong, Fa-Wu; Liu, Zheng-Hua; Zhou, Jun; Ding, Zhong-Tao; Hu, Jiang-Miao
• Journal of publication: Journal of Natural Products
• Year of publication: 2018
• a: 9.1164 ± 0.0003 Å
• b: 10.3428 ± 0.0003 Å
• c: 15.9959 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1508.24 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No