Information card for entry 4107036

Structure parameters

• Formula: C20 H23 F3 O6
• Calculated formula: C20 H23 F3 O6
• SMILES: O1C(=O)C[C@@H]2[C@H]([C@@H](O[C@H]12)OC(=O)[C@](OC)(C(F)(F)F)c1ccccc1)C(C)(C)C
• Title of publication: Divergent Synthesis and Chemical Reactivity of Bicyclic Lactone Fragments of Complex Rearranged Spongian Diterpenes
• Authors of publication: Martin J. Schnermann; Christopher M. Beaudry; Nathan E. Genung; Stephen M. Canham; Nicholas L. Untiedt; Breanne D. W. Karanikolas; Christine Sütterlin; Larry E. Overman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 17494 - 17503
• a: 26.422 ± 0.007 Å
• b: 26.422 ± 0.007 Å
• c: 7.967 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4817 ± 2 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No