Information card for entry 2210395

Structure parameters

• Chemical name: 2-[(E)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 0.59-chloride 0.41-iodide monohydrate
• Formula: C19 H20 Cl0.59 I0.41 N O3
• Calculated formula: C19 H20 Cl0.588 I0.412 N O3
• Title of publication: 2-[(<i>E</i>)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 0.59-chloride 0.41-iodide monohydrate
• Authors of publication: Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4004 - o4006
• a: 6.2645 ± 0.0006 Å
• b: 8.2382 ± 0.0008 Å
• c: 9.1458 ± 0.0008 Å
• α: 68.743 ± 0.002°
• β: 88.273 ± 0.001°
• γ: 87.467 ± 0.001°
• Cell volume: 439.4 ± 0.07 ų
• Cell temperature: 153 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes