Information card for entry 1508891

Structure parameters

• Formula: C18 H26 N2 O
• Calculated formula: C18 H26 N2 O
• SMILES: O=C1C=C2N3[C@H]4N(CCCC4)C[C@H]4[C@H]3[C@H](C[C@H]2C1)CCC4
• Title of publication: Myriberine A, a New Alkaloid with an Unprecedented Heteropentacyclic Skeleton from Myrioneuron faberi.
• Authors of publication: Huang, Sheng-Dian; Zhang, Yu; Cao, Ming-Ming; Di, Ying-Tong; Tang, Gui-Hua; Peng, Zong-Gen; Jiang, Jian-Dong; He, Hong-Ping; Hao, Xiao-Jiang
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 590 - 593
• a: 6.385 ± 0.0002 Å
• b: 8.7697 ± 0.0002 Å
• c: 27.5194 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.94 ± 0.07 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: 0.0398
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No