Information card for entry 1551496

Structure parameters

• Common name: Pcorrole
• Formula: C22.5 H14.5 Cl1.5 F1.5 N2 O1.5 P0.5 S0.5
• Calculated formula: C22.5 H14.5 Cl1.5 F1.5 N2 O1.5 P0.5 S0.5
• Title of publication: Tetragonal Phosphorus(V) Cations As Tunable and Robust Catalytic Lewis Acids
• Authors of publication: Gilhula, James Connor; Radosevich, Alexander
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 11.5292 ± 0.0008 Å
• b: 12.5645 ± 0.0009 Å
• c: 14.1583 ± 0.001 Å
• α: 78.035 ± 0.001°
• β: 85.101 ± 0.002°
• γ: 85.372 ± 0.001°
• Cell volume: 1994.9 ± 0.2 ų
• Cell temperature: 20 ± 2 K
• Ambient diffraction temperature: 20 ± 2 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: 0.0694
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No