Information card for entry 2203396

Structure parameters

• Common name: vinamidinium salt derivative
• Chemical name: 1-Dimethylamino-3-dimethyliminio-2-(p-methoxyphenyl)prop-1-ene perchlorate
• Formula: C14 H21 Cl N2 O5
• Calculated formula: C14 H21 Cl N2 O5
• SMILES: Cl(=O)(=O)(=O)[O-].O(c1ccc(C(=C/N(C)C)\C=[N+](C)C)cc1)C
• Title of publication: 1-Dimethylamino-3-dimethyliminio-2-(<i>p</i>-methoxyphenyl)prop-1-ene perchlorate
• Authors of publication: Girija, C. R.; Noor Shahina Begum
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o535 - o536
• a: 7.295 ± 0.002 Å
• b: 13.117 ± 0.003 Å
• c: 8.793 ± 0.002 Å
• α: 90°
• β: 92.228 ± 0.005°
• γ: 90°
• Cell volume: 840.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No