Information card for entry 7120264

Structure parameters

• Formula: C48 H8 B Cl2 F34 P
• Calculated formula: C48 H8 B Cl2 F34 P
• Title of publication: A Model for C-F Activation by Electrophilic Phosphonium Cations
• Authors of publication: Mallov, Ian; Johnstone, Tim; Burns, Darcy; Stephan, Douglas W.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 12.0867 ± 0.0019 Å
• b: 14.713 ± 0.003 Å
• c: 27.639 ± 0.005 Å
• α: 90.302 ± 0.007°
• β: 97.601 ± 0.007°
• γ: 99.45 ± 0.008°
• Cell volume: 4804 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2063
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2537
• Weighted residual factors for all reflections included in the refinement: 0.3236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No