Information card for entry 7028202

Structure parameters

• Formula: C37 H30 B F10 P
• Calculated formula: C37 H30 B F10 P
• SMILES: P1(C#CC2=CCCCC2)(=C(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=C2CCCCC12)c1c(cc(cc1C)C)C
• Title of publication: Borata-alkene derivatives conveniently made by frustrated Lewis pair chemistry.
• Authors of publication: Möbus, Juri; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 632 - 638
• a: 12.6876 ± 0.0002 Å
• b: 16.4138 ± 0.0002 Å
• c: 16.9396 ± 0.0003 Å
• α: 90°
• β: 108.068 ± 0.001°
• γ: 90°
• Cell volume: 3353.75 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No