Information card for entry 4103178

Structure parameters

• Formula: C53 H37 B F15 P
• Calculated formula: C53 H37 B F15 P
• SMILES: [P+](/C(=C/[B](C(=C(CCC)CCC)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)c1ccc(cc1)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Carbon-Carbon Bond Activation by 1,1-Carboboration of Internal Alkynes
• Authors of publication: Chao Chen; Gerald Kehr; Roland Fröhlich; Gerhard Erker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13594 - 13595
• a: 12.2855 ± 0.0005 Å
• b: 12.4303 ± 0.0006 Å
• c: 18.0373 ± 0.0008 Å
• α: 70.022 ± 0.004°
• β: 70.262 ± 0.004°
• γ: 69.078 ± 0.002°
• Cell volume: 2343.94 ± 0.19 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: 0.0878
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No