Information card for entry 1506012

Structure parameters

• Formula: C26 H27 B F3 N O
• Calculated formula: C26 H27 B F3 N O
• SMILES: B(c1c(NC(=O)C(F)(F)F)cccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.
• Authors of publication: Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 2747 - 2749
• a: 8.481 ± 0.003 Å
• b: 11.804 ± 0.004 Å
• c: 12.288 ± 0.005 Å
• α: 99.518 ± 0.007°
• β: 106.156 ± 0.006°
• γ: 94.747 ± 0.009°
• Cell volume: 1154.5 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No