Information card for entry 1555321

Structure parameters

• Formula: C22 H20 B F4 N
• Calculated formula: C22 H20 B F4 N
• Title of publication: A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions.
• Authors of publication: Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 4862 - 4865
• a: 8.30165 ± 0.00015 Å
• b: 11.9912 ± 0.0002 Å
• c: 19.0328 ± 0.0004 Å
• α: 81.1115 ± 0.0007°
• β: 89.9577 ± 0.0007°
• γ: 75.0852 ± 0.0007°
• Cell volume: 1807.32 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No