Information card for entry 4104586

Structure parameters

• Formula: C38 H33 B F15 P
• Calculated formula: C38 H33 B F15 P
• SMILES: [PH+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.Fc1c([B](C#Cc2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F
• Title of publication: Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs
• Authors of publication: Meghan A. Dureen; Douglas W. Stephan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8396 - 8397
• a: 15.33 ± 0.003 Å
• b: 15.326 ± 0.003 Å
• c: 15.626 ± 0.003 Å
• α: 90°
• β: 100.6 ± 0.03°
• γ: 90°
• Cell volume: 3608.6 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No