Information card for entry 1564812

Structure parameters

• Formula: C30 H36 B F6 P
• Calculated formula: C30 H36 B F6 P
• SMILES: [P](CC(C)C)(CC(C)C)(CC(C)C)[B](c1c(F)cc(F)cc1)(c1c(F)cc(F)cc1)c1c(F)cc(F)cc1
• Title of publication: Tris(2,4-difluorophenyl)borane/Triisobutylphosphine Lewis Pair: A Thermostable and Air/Moisture-Tolerant Organic Catalyst for the Living Polymerization of Acrylates
• Authors of publication: Zhang, Zhen-Hua; Wang, Xing; Wang, Xiao-Jun; Li, Yuesheng; Hong, Miao
• Journal of publication: Macromolecules
• Year of publication: 2021
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 8495 - 8502
• a: 8.6365 ± 0.0009 Å
• b: 19.96 ± 0.002 Å
• c: 16.4399 ± 0.0017 Å
• α: 90°
• β: 96.579 ± 0.004°
• γ: 90°
• Cell volume: 2815.3 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.99 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: 0.0368
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No