Information card for entry 4066298

Structure parameters

• Formula: C25 H17 B F15 N O
• Calculated formula: C25 H17 B F15 N O
• SMILES: Fc1c(c(c(F)c(F)c1F)F)[B](OCCCC[N+](C)(C)C)(c1c(c(F)c(F)c(F)c1F)F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Frustrated Lewis Pairs and Ring-Opening of THF, Dioxane, and Thioxane†
• Authors of publication: Birkmann, Birgit; Voss, Tanja; Geier, Stephen J.; Ullrich, Matthias; Kehr, Gerald; Erker, Gerhard; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5310
• a: 10.1478 ± 0.001 Å
• b: 11.5115 ± 0.0012 Å
• c: 13.3066 ± 0.0015 Å
• α: 93.857 ± 0.007°
• β: 106.083 ± 0.007°
• γ: 107.488 ± 0.006°
• Cell volume: 1405.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1305
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No