Information card for entry 2218249

Structure parameters

• Chemical name: (<i>E</i>)-2-[4-(Dimethylamino)styryl]-1-methylquinolinium iodide sesquihydrate
• Formula: C20 H24 I N2 O1.5
• Calculated formula: C20 H24 I N2 O1.5
• SMILES: [I-].[n+]1(c2ccccc2ccc1/C=C\c1ccc(N(C)C)cc1)C.O.O
• Title of publication: (<i>E</i>)-2-[4-(Dimethylamino)styryl]-1-methylquinolinium iodide sesquihydrate
• Authors of publication: Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Chanawanno, Kullapa; Karalai, Chatchanok; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o876 - o877
• a: 20.8997 ± 0.0004 Å
• b: 10.5941 ± 0.0002 Å
• c: 18.402 ± 0.0004 Å
• α: 90°
• β: 113.047 ± 0.001°
• γ: 90°
• Cell volume: 3749.25 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0332
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes