Information card for entry 7155831

Structure parameters

• Formula: C31 H58 O3 Si2
• Calculated formula: C31 H58 O3 Si2
• Title of publication: Synthesis of the Octahydronaphthalene Core of Nahuoic Acid A via a B(C6F5)3-Catalyzed Intramolecular Diels-Alder (IMDA) Reaction
• Authors of publication: Guillade, Lucía; Gónzalez Pérez, Adán B; R. de LERA, Angel
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 8.2887 ± 0.0011 Å
• b: 17.918 ± 0.004 Å
• c: 12.294 ± 0.002 Å
• α: 90°
• β: 104.347 ± 0.004°
• γ: 90°
• Cell volume: 1768.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1066
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2401
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No