Information card for entry 7123130

Structure parameters

• Formula: C51 H33 O7 P V3
• Calculated formula: C51 H33 O6.99996 P0.9996 V3
• 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: 15.033 ± 0.002 Å
• b: 15.033 ± 0.002 Å
• c: 11.491 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2248.9 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 109.87 K
• Number of distinct elements: 5
• Space group number: 193
• Hermann-Mauguin space group symbol: P 63/m c m
• Hall space group symbol: -P 6c 2
• Residual factor for all reflections: 0.156
• Residual factor for significantly intense reflections: 0.1347
• Weighted residual factors for significantly intense reflections: 0.2394
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0511
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No