Information card for entry 2007331

Structure parameters

• Common name: 14-O-Benzoyl-8-methoxy- and 14-O-Benzoyl-8-ethoxy- Bikhaconines
• Chemical name: [1α,6α,14α,16β]-20-ethyl-1,6,16-trimethoxy-4-methoxymethyl- 13-hydroxyaconitane-8,14-diyl 8-methoxy 14-benzoate and [1α,6α,14α,16β]-20-ethyl-1,6,16-trimethoxy-4-methoxymethyl- 13-hydroxyaconitane-8,14-diyl 8-ethoxy 14-benzoate.
• Formula: C33.35 H47.7 N O8
• Calculated formula: C33.35 H47.7 N O8
• Title of publication: 14-<i>O</i>-Benzoyl-8-ethoxybikhaconine and 14-<i>O</i>-Benzoyl-8-methoxybikhaconine
• Authors of publication: Parvez, Masood; Gul, Waseem; Anwar, Saeed
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 790 - 792
• a: 9.938 ± 0.004 Å
• b: 11.876 ± 0.005 Å
• c: 13.611 ± 0.005 Å
• α: 90°
• β: 91.96 ± 0.01°
• γ: 90°
• Cell volume: 1605.5 ± 1.1 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: 0.067
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.171
• Weighted residual factors for significantly intense reflections: 0.161
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 0.99
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No