Information card for entry 8101873

Structure parameters

• Chemical name: trans-4-[4-(N,N-diethylamino)-2-hydroxy-styryl]-N-methylpyridinium iodide monohydrate acetonitrile hemisolvate
• Formula: C19 H26.5 I N2.5 O2
• Calculated formula: C19 H26.5 I N2.5 O2
• Title of publication: Crystal structure of trans-4-[4-(N,N-diethylamino)-2-hydroxystyryl]- N-methylpyridinium iodide monohydrate acetonitrile hemisolvate, (C~18~H~23~N~2~O)I · H~2~O · ½CH~3~CN
• Authors of publication: Cao, D.-X.; Chen, H.-Y.; Li, G.-Z.; Wang, Y.-H.; Liu, Z.-Q.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 591 - 593
• a: 35.97 ± 0.004 Å
• b: 11.627 ± 0.0015 Å
• c: 22.081 ± 0.003 Å
• α: 90°
• β: 114.341 ± 0.007°
• γ: 90°
• Cell volume: 8413.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1514
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No