Information card for entry 4105836

Structure parameters

• Formula: C45 H22 B Cl2 F15 P2
• Calculated formula: C45 H22 B Cl2 F15 P2
• Title of publication: P-C Bond Activation Chemistry: Evidence for 1,1-Carboboration Reactions Proceeding with Phosphorus-Carbon Bond Cleavage
• Authors of publication: Olga Ekkert; Gerald Kehr; Roland Fröhlich; Gerhard Erker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4610 - 4616
• a: 9.7976 ± 0.0002 Å
• b: 10.846 ± 0.0004 Å
• c: 21.187 ± 0.0007 Å
• α: 95.231 ± 0.002°
• β: 102.492 ± 0.002°
• γ: 104.305 ± 0.002°
• Cell volume: 2104.94 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1257
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No