Information card for entry 2203399

Structure parameters

• Chemical name: 1-Dimethylamino-3-dimethyliminio-1-(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(N(C)C)=CC=[N+](C)C)cc1)C
• Title of publication: 1-Dimethylamino-3-dimethyliminio-1-(<i>p</i>-methoxyphenyl)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: o592 - o594
• a: 8.239 ± 0.003 Å
• b: 12.399 ± 0.002 Å
• c: 16.152 ± 0.003 Å
• α: 90°
• β: 93.1 ± 0.02°
• γ: 90°
• Cell volume: 1647.6 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes