Information card for entry 2203398

Structure parameters

• Chemical name: 1-Dimethylamino-3-dimethyliminio-1-(p-methylphenyl)prop-1-ene perchlorate
• Formula: C14 H21 Cl N2 O4
• Calculated formula: C14 H21 Cl N2 O4
• SMILES: Cl(=O)(=O)(=O)[O-].N(C(=CC=[N+](C)C)c1ccc(cc1)C)(C)C
• Title of publication: 1-Dimethylamino-3-dimethyliminio-1-(<i>p</i>-methylphenyl)prop-1-ene perchlorate
• Authors of publication: Girija, C. R.; Noor Shahina Begum; Sridhar, M. A.; Lokanath, N. K.; Prasad, J. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o589 - o591
• a: 11.601 ± 0.003 Å
• b: 12.409 ± 0.002 Å
• c: 12.664 ± 0.004 Å
• α: 90°
• β: 115.501 ± 0.018°
• γ: 90°
• Cell volume: 1645.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2207
• Weighted residual factors for all reflections included in the refinement: 0.2718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes