Information card for entry 2008068

Structure parameters

• Common name: Pseudaconitine
• Chemical name: [1α,6α,14α(E),16β]-20-Ethyl-1,6,16-trimethoxy-4-methoxymethyl-3,13- dihydroxyaconitane-8,14-diyl 8-acetate 14-(3',4'-dimethoxybenzoate)
• Formula: C36 H51 N O12
• Calculated formula: C36 H51 N O12
• Title of publication: Pseudaconitine
• Authors of publication: Parvez, Masood; Gul, Waseem; Atta-ur-Rahman; Choudhary, M. Iqbal; Nasreen, Amber; Fatima, Nuzhat
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 72 - 74
• a: 11.9156 ± 0.0012 Å
• b: 12.7033 ± 0.0019 Å
• c: 11.9651 ± 0.0017 Å
• α: 90°
• β: 100.415 ± 0.01°
• γ: 90°
• Cell volume: 1781.3 ± 0.4 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No