Information card for entry 4066413

Structure parameters

• Formula: C19 H17 B F4 N2 O5
• Calculated formula: C19 H17 B F4 N2 O5
• SMILES: [B](F)(F)(F)[F-].O(C(=O)c1cc2[n+](cn(C)c2cc1C(=O)OC)C(=O)c1ccccc1)C
• Title of publication: Acyl Protection Strategy for Synthesis of a Protic NHC Complex via N-Acyl Methanolysis†
• Authors of publication: Dobereiner, Graham E.; Chamberlin, Catherine A.; Schley, Nathan D.; Crabtree, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5728
• a: 8.03604 ± 0.00015 Å
• b: 13.4879 ± 0.0003 Å
• c: 18.4796 ± 0.0003 Å
• α: 90°
• β: 92.7252 ± 0.001°
• γ: 90°
• Cell volume: 2000.73 ± 0.07 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No