Information card for entry 7035706

Structure parameters

• Formula: C33 H26 B F10 N3
• Calculated formula: C33 H26 B F10 N3
• SMILES: N#Cc1ccc(cc1)[N](=C(C)Nc1c(cccc1C(C)C)C(C)C)[BH](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: 12.4308 ± 0.0002 Å
• b: 18.9125 ± 0.0002 Å
• c: 15.1079 ± 0.0002 Å
• α: 90°
• β: 92.79 ± 0.001°
• γ: 90°
• Cell volume: 3547.62 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No