Information card for entry 7040987

Structure parameters

• Formula: C49 H2 B Cl2 F40 O P
• Calculated formula: C49 H2 B Cl2 F40 O P
• Title of publication: Electrophilic phenoxy-substituted phosphonium cations.
• Authors of publication: LaFortune, James H. W.; Johnstone, Timothy C.; Pérez, Manuel; Winkelhaus, Daniel; Podgorny, Vitali; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18156 - 18162
• a: 10.4535 ± 0.0008 Å
• b: 27.119 ± 0.002 Å
• c: 17.4639 ± 0.0014 Å
• α: 90°
• β: 94.766 ± 0.004°
• γ: 90°
• Cell volume: 4933.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No