Information card for entry 1548711

Structure parameters

• Formula: C16 H23 N O3
• Calculated formula: C16 H23 N O3
• SMILES: OC1=C([C@@H]2C(=O)N(C)C[C@@H]3[C@](C1=O)([C@H]2CC3)C)C(C)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: 8.1168 ± 0.0003 Å
• b: 9.4717 ± 0.0003 Å
• c: 9.3676 ± 0.0003 Å
• α: 90°
• β: 98.37 ± 0.001°
• γ: 90°
• Cell volume: 712.51 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No