Information card for entry 7251632

Structure parameters

• Chemical name: 4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]quinolinium 4-methylbenzenesulfonate, benzene solvate
• Formula: C27.5 H26.5 N O5 S
• Calculated formula: C27.5 H26.5 N O5 S
• 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: 12.0542 ± 0.0008 Å
• b: 13.2014 ± 0.0009 Å
• c: 16.667 ± 0.0011 Å
• α: 69.704 ± 0.004°
• β: 89.857 ± 0.004°
• γ: 73.979 ± 0.003°
• Cell volume: 2378.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.2437
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No