Information card for entry 2229275

Structure parameters

• Common name: Deltaline
• Chemical name: 6β,10-dihydroxy-1α,14α,16β-trimethoxy-4-methyl-7β,8-(methylenedioxy)- 20-ethylaconitan-6-yl acetate
• Formula: C27 H41 N O8
• Calculated formula: C27 H41 N O8
• SMILES: CO[C@H]1C[C@@]23OCO[C@]43[C@@H](OC(=O)C)[C@H]3[C@@]5([C@@]6(C[C@H]1[C@@H]([C@H]26)OC)O)[C@@H]4N(CC)C[C@]3(C)CC[C@@H]5OC
• Title of publication: Deltaline from <i>Delphinium delavayi</i> Franch
• Authors of publication: Wang, Xiong-Qing; Song, Qin; Guo, Xiao-Qiang; Yan, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o439
• a: 8.5708 ± 0.0003 Å
• b: 16.3149 ± 0.0005 Å
• c: 18.5346 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2591.73 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0528
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes