Information card for entry 2228975

Structure parameters

• Chemical name: Anthriscifolcine A
• Formula: C26 H39 N O7
• Calculated formula: C26 H39 N O7
• SMILES: O1[C@@]23[C@@H](OC(=O)C)[C@@H]4[C@H]5CC[C@H](OC)[C@]4([C@H]4[C@H]6[C@]2(OC1)C[C@H](OC)[C@@H](C4)[C@@H]6OC)[C@@H]3N(C5)CC
• Title of publication: Anthriscifolcine A, a C18-diterpenoid alkaloid
• Authors of publication: Song, Zhi-Jun; Chen, Wei-Quan; Du, Xiao-Ying; Yuan, Yun-Fei; Xu, Han-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o395
• a: 8.9444 ± 0.0016 Å
• b: 14.135 ± 0.003 Å
• c: 19.112 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2416.3 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes