Information card for entry 4105837

Structure parameters

• Formula: C51 H28 B F15 P2
• Calculated formula: C51 H28 B F15 P2
• SMILES: [P+]1(C(=C([B](F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c1c(c(c(c2F)F)F)F)P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1C
• 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: 10.4606 ± 0.0004 Å
• b: 13.1363 ± 0.0005 Å
• c: 16.4911 ± 0.0007 Å
• α: 91.614 ± 0.002°
• β: 103.553 ± 0.002°
• γ: 95.609 ± 0.003°
• Cell volume: 2189.39 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No