Information card for entry 7017579

Structure parameters

• Formula: C68 H69 B F15 O3 P
• Calculated formula: C68 H69 B F15 O3 P
• 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: 15.2876 ± 0.0006 Å
• b: 17.8123 ± 0.0007 Å
• c: 26.9165 ± 0.0012 Å
• α: 90°
• β: 104.511 ± 0.002°
• γ: 90°
• Cell volume: 7095.7 ± 0.5 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: 0.1355
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No