Information card for entry 4069091

Structure parameters

• Chemical name: [1,8-Bis(diphenylphosphanyl)naphthalene]dihydroboron Hexafluorophosphate
• Formula: C35 H30 B Cl2 F6 P3
• Calculated formula: C35 H30 B Cl2 F6 P3
• SMILES: [P+]1(c2cccc3cccc([P](c4ccccc4)(c4ccccc4)[BH2]1)c23)(c1ccccc1)c1ccccc1.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Boronation of 1,8-Bis(diphenylphosphino)naphthalene: Formation of Cyclic Boronium Salts⊥
• Authors of publication: Owsianik, Krzysztof; Chauvin, Remi; Balińska, Agnieszka; Wieczorek, Michał; Cypryk, Marek; Mikołajczyk, Marian
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 4929
• a: 11.964 ± 0.003 Å
• b: 12.191 ± 0.003 Å
• c: 12.717 ± 0.003 Å
• α: 70.72 ± 0.03°
• β: 85.66 ± 0.03°
• γ: 72.35 ± 0.03°
• Cell volume: 1667.8 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No