Information card for entry 2006864

Structure parameters

• Chemical name: tris[1-(2-phenyl-2-oxoethyl)pyridone-2] hydroxonium tetrafluoroborate complex
• Formula: C39 H36 B F4 N3 O7
• Calculated formula: C39 H36 B F4 N3 O7
• Title of publication: Tris(1-phenacyl-2-pyridone) Hydroxonium Tetrafluoroborate, a Hydrogen-Bonded Complex
• Authors of publication: Zhukov, S. G.; Rybakov, V. B.; Babaev, E. V.; Paseshnichenko, K. A.; Schenk, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1909 - 1911
• a: 14.02 ± 0.002 Å
• b: 14.02 ± 0.002 Å
• c: 33.005 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5618.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.13
• Weighted residual factors for significantly intense reflections: 0.102
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.199
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No