Information card for entry 7035708

Structure parameters

• Formula: C32 H20 B F15 N2
• Calculated formula: C32 H20 B F15 N2
• SMILES: [B]1([N](=C(N1c1c(F)c(F)c(F)c(F)c1F)C)c1c(cccc1C(C)C)C(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis of new asymmetric substituted boron amidines - reactions with CO and transfer hydrogenations of phenylacetylene.
• Authors of publication: Cabrera, Alan R.; Rojas, Rene S.; Valderrama, Mauricio; Plüss, Pascal; Berke, Heinz; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19606 - 19614
• a: 10.8429 ± 0.0002 Å
• b: 11.1654 ± 0.0003 Å
• c: 14.1978 ± 0.0003 Å
• α: 83.369 ± 0.002°
• β: 71.919 ± 0.002°
• γ: 71.599 ± 0.001°
• Cell volume: 1550.14 ± 0.06 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: 0.0753
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No