Information card for entry 7251625

Structure parameters

• Chemical name: 4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1-methylpyridinium tetrafluoroborate
• Formula: C15 H16 B F4 N O2
• Calculated formula: C15 H16 B F4 N O2
• Title of publication: Study of influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles
• Authors of publication: Kuzmina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 8.8022 ± 0.0003 Å
• b: 9.8851 ± 0.0004 Å
• c: 34.8148 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3029.26 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No