Information card for entry 1513109

Structure parameters

• Formula: C28 H40 F16 N8 Sb3
• Calculated formula: C28 H41 F15.9354 N8 Sb3
• SMILES: [Sb](F)(F)(F)(F)F.[Sb](F)([F][Sb](F)(F)(F)(F)F)(F)(F)(F)F.N(c1ccncc1)(C)C.N(C)(C)c1cc[nH+]cc1.N(C)(C)c1ccncc1.c1c(N(C)C)ccnc1
• Title of publication: Electrophilic Difluoro(phenylthio)methylation: Generation, Stability, and Reactivity of α-Fluorocarbocations.
• Authors of publication: Betterley, Nolan M.; Surawatanawong, Panida; Prabpai, Samran; Kongsaeree, Palangpon; Kuhakarn, Chutima; Pohmakotr, Manat; Reutrakul, Vichai
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 5666 - 5669
• a: 18.492 ± 0.0006 Å
• b: 22.225 ± 0.0007 Å
• c: 26.253 ± 0.001 Å
• α: 103.873 ± 0.0018°
• β: 95.074 ± 0.0018°
• γ: 107.152 ± 0.0019°
• Cell volume: 9860.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No