Information card for entry 1513397

Structure parameters

• Formula: C35 H55 N5
• Calculated formula: C35 H55 N5
• SMILES: C1N2[C@H]3N4[C@@H]5N([C@H](C6=CN7[C@@H]8N(CCCC8)C[C@@H]8CCC[C@@H](C6)[C@@H]78)[C@@H]6[C@@H]4[C@@H](CCC6)CC3)CCC[C@H]5[C@@H]2CCC1
• Title of publication: Myrifabine, the First Dimeric Myrioneuron Alkaloid from Myrioneuron faberi.
• Authors of publication: Cao, Ming-Ming; Huang, Sheng-Dian; Di, Ying-Tong; Yuan, Chun-Mao; Zuo, Guo-Ying; Gu, Yu-Cheng; Zhang, Yu; Hao, Xiao-Jiang
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 528 - 531
• a: 9.2966 ± 0.0005 Å
• b: 12.0684 ± 0.0007 Å
• c: 27.4671 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3081.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No