Information card for entry 7123132

Structure parameters

• Formula: C54 H24 B Cl2 F20 O3 P V
• Calculated formula: C54 H24 B Cl2 F20 O3 P V
• Title of publication: An untethered C3v-symmetric triarylphosphine oxide locked by intermolecular hydrogen bonding
• Authors of publication: Carroll, Timothy G.; Hunt, Camden; Garwick, Rachel; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 25.0426 ± 0.0019 Å
• b: 33.159 ± 0.002 Å
• c: 16.5246 ± 0.0011 Å
• α: 90°
• β: 115.089 ± 0.004°
• γ: 90°
• Cell volume: 12427.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.12 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No