Information card for entry 7028201

Structure parameters

• Formula: C31 H22 B F10 P
• Calculated formula: C31 H22 B F10 P
• SMILES: P1(=C(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=C(C1)C)(C#CC(=C)C)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: 15.3216 ± 0.0005 Å
• b: 9.6881 ± 0.0003 Å
• c: 19.8939 ± 0.0007 Å
• α: 90°
• β: 104.373 ± 0.002°
• γ: 90°
• Cell volume: 2860.57 ± 0.17 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: 0.0505
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No