Information card for entry 7118439

Structure parameters

• Formula: C29 H18 B F10 P
• Calculated formula: C29 H18 B F10 P
• SMILES: [P+]1(C([BH](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=C(C1)C)(c1ccccc1)c1ccccc1
• Title of publication: Cooperative reaction chemistry derived from a borata-diene framework.
• Authors of publication: Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1393 - 1396
• a: 11.8789 ± 0.0006 Å
• b: 12.5298 ± 0.0007 Å
• c: 12.6592 ± 0.0006 Å
• α: 61.284 ± 0.003°
• β: 72.907 ± 0.003°
• γ: 67.981 ± 0.003°
• Cell volume: 1516.86 ± 0.14 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: 0.0647
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No