Information card for entry 1548712

Structure parameters

• Formula: C15 H21 N O3
• Calculated formula: C15 H21 N O3
• SMILES: O=C1NC[C@@H]2[C@]3(C)C(=O)C(=C(C(C)C)[C@H]1[C@@H]3CC2)O
• 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: 7.958 ± 0.0005 Å
• b: 9.836 ± 0.0006 Å
• c: 17.12 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1340.07 ± 0.15 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: 0.1615
• Residual factor for significantly intense reflections: 0.1019
• Weighted residual factors for significantly intense reflections: 0.2698
• Weighted residual factors for all reflections included in the refinement: 0.3482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No