Information card for entry 4073895

Structure parameters

• Common name: fluoroester
• Formula: C20 H29 F O6
• Calculated formula: C20 H29 F O6
• SMILES: F[C@]1([C@H](OC(=O)[C@]23OC(=O)[C@](C)(CC2)C3(C)C)CCC1)C(=O)OC(C)(C)C
• Title of publication: Ruthenium-Catalyzed Asymmetric Electrophilic Fluorination of 1,3-Dicarbonyl Compounds
• Authors of publication: Althaus, Martin; Becker, Claus; Togni, Antonio; Mezzetti, Antonio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5902
• a: 6.4686 ± 0.0011 Å
• b: 13.64 ± 0.002 Å
• c: 23.973 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2115.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No