Information card for entry 7017576

Structure parameters

• Formula: C28 H13 B F15 O2 P
• Calculated formula: C28 H13 B F15 O2 P
• SMILES: [P]1([B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)(Oc2c(O1)cccc2)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: 10.8146 ± 0.0014 Å
• b: 12.668 ± 0.0015 Å
• c: 19.986 ± 0.002 Å
• α: 90°
• β: 93.54 ± 0.004°
• γ: 90°
• Cell volume: 2732.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1026
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No