Information card for entry 2201617

Structure parameters

• Common name: LDS 698
• Chemical name: 2-{4-[4-(Dimethylamino)phenyl]-1,3-butadienyl}-1-ethylpyridinium perchlorate
• Formula: C19 H23 Cl N2 O4
• Calculated formula: C19 H23 Cl N2 O4
• Title of publication: 2-{4-[4-(Dimethylamino)phenyl]-1,3-butadienyl}-1-ethylpyridinium perchlorate
• Authors of publication: Jerry P. Jasinski; John M. Jasinski; Daniel J. Crosby
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1283 - o1284
• a: 7.8213 ± 0.0014 Å
• b: 11.1055 ± 0.0013 Å
• c: 11.494 ± 0.002 Å
• α: 90.003 ± 0.018°
• β: 106.098 ± 0.015°
• γ: 102.96 ± 0.014°
• Cell volume: 932.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1661
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes