Information card for entry 4130185

Structure parameters

• Formula: C40 H28 B2 Cl2 F10 N O P
• Calculated formula: C40 H28 B2 Cl2 F10 N O P
• SMILES: ClCCl.[P]1(c2cccc3c2Oc2c(cccc2C3(C)C)[B]([NH2][BH2]1)(c1c(F)c(F)c(F)c(c1F)F)c1c(F)c(F)c(F)c(c1F)F)(c1ccccc1)c1ccccc1
• 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: 12.4563 ± 0.0002 Å
• b: 12.7878 ± 0.0002 Å
• c: 13.9516 ± 0.0002 Å
• α: 97.1164 ± 0.0007°
• β: 110.102 ± 0.0007°
• γ: 96.6299 ± 0.0007°
• Cell volume: 2040.88 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections: 0.1453
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9601
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No