Information card for entry 4130182

Structure parameters

• Formula: C43 H36 B2 Cl2 F10 N O P
• Calculated formula: C43 H36 B2 Cl2 F10 N O P
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[BH](c1cccc2C(c3cccc([P+]([BH2][N](C)(C)C)(c4ccccc4)c4ccccc4)c3Oc12)(C)C)c1c(F)c(F)c(F)c(F)c1F.ClCCl
• Title of publication: Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.
• Authors of publication: Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 10
• Pages of publication: 3306 - 3309
• a: 13.1679 ± 0.0004 Å
• b: 15.0411 ± 0.0004 Å
• c: 20.7964 ± 0.0004 Å
• α: 90°
• β: 94.719 ± 0.002°
• γ: 90°
• Cell volume: 4104.97 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.0837
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.155
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9542
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No