Information card for entry 7106165

Structure parameters

• Formula: C26 H34 N O2.5 Si
• Calculated formula: C26 H33.5 N O2.5 Si
• Title of publication: A general synthetic approach to the amnesic shellfish toxins: total synthesis of (-)-isodomoic acid B, (-)-isodomoic acid E and (-)-isodomoic acid F
• Authors of publication: Gilles Lemiere; Simon Sedehizadeh; Julie Toueg; Nadia Fleary-Roberts; Jonathan Clayden
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3745
• a: 11.549 ± 0.003 Å
• b: 15.63 ± 0.004 Å
• c: 13.138 ± 0.004 Å
• α: 90°
• β: 90.792 ± 0.005°
• γ: 90°
• Cell volume: 2371.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No