Information card for entry 2006937

Structure parameters

• Common name: 3', 4'-dimethoxy-N-methyl-4-stilbazolium tetrafluoroborate
• Chemical name: 4-[2-(3,4-dimethoxyphenyl)ethenyl]-1-methylpyridinium tetrafluoroborate
• Formula: C16 H18 B F4 N O2
• Calculated formula: C16 H18 B F4 N O2
• SMILES: [B](F)(F)(F)[F-].O(c1ccc(/C=C/c2cc[n](C)cc2)cc1OC)C
• Title of publication: 4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium Tetrafluoroborate
• Authors of publication: De-Chun Zhang; Tian-Zhu Zhang; Yan-Qiu Zhang; Li-Qin Ge; Kai-Bei Yu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 138 - 140
• a: 13.5174 ± 0.0014 Å
• b: 13.919 ± 0.0013 Å
• c: 17.0708 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3211.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.094
• Goodness-of-fit parameter for all reflections: 0.891
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No