Information card for entry 1516635

Structure parameters

• Formula: C26 H43 N O8
• Calculated formula: C26 H43 N O8
• SMILES: N1([C@@H]2[C@@H]3C[C@]4(O)[C@](CC[C@H](OC)[C@]24[C@H]2[C@H]4[C@]3(O)C[C@@H]3OC(O[C@]3(C2)[C@@H]4O)(C)C)(COC)C1)CC.O
• Title of publication: C19-diterpenoid alkaloids from Aconitum hemsleyanum var. circinatum.
• Authors of publication: Gao, Feng; Chen, Qiao-Hong; Wang, Feng-Peng
• Journal of publication: Journal of natural products
• Year of publication: 2007
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 876 - 879
• a: 9.186 ± 0.0018 Å
• b: 10.212 ± 0.002 Å
• c: 54.792 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5139.9 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1505227
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No