Information card for entry 7017578

Structure parameters

• Formula: C30 H15 B Cl2 F15 P
• Calculated formula: C30 H15 B Cl2 F15 P
• SMILES: Cl[P+](Cl)(C(=C\[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)\c1ccccc1)C(C)(C)C
• Title of publication: Chloro- and phenoxy-phosphines in frustrated Lewis pair additions to alkynes.
• Authors of publication: Caputo, Christopher B.; Geier, Stephen J.; Ouyang, Eva Y.; Kreitner, Christoph; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 237 - 242
• a: 13.4163 ± 0.0004 Å
• b: 18.3323 ± 0.0005 Å
• c: 14.009 ± 0.0005 Å
• α: 90°
• β: 118.077 ± 0.001°
• γ: 90°
• Cell volume: 3040.05 ± 0.17 ų
• Cell temperature: 493 ± 2 K
• Ambient diffraction temperature: 493 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No