Information card for entry 2203830

Structure parameters

• Formula: C18 H23 I3 N2
• Calculated formula: C18 H23 I3 N2
• SMILES: C[n+]1ccc(cc1)/C=C/c1ccc(cc1)N(CC)CC.I[I-]I
• Title of publication: <i>trans</i>-4-[<i>p</i>-(<i>N,N</i>-Diethylamino)styryl]-<i>N</i>-methylpyridinium triiodide
• Authors of publication: Xuejie Tan; Sixiu Sun; Wentao Yu; Dianxiang Xing; Yonggang Wang; Chenggang Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1054 - o1056
• a: 8.856 ± 0.0008 Å
• b: 17.4364 ± 0.0019 Å
• c: 14.463 ± 0.002 Å
• α: 90°
• β: 105.457 ± 0.009°
• γ: 90°
• Cell volume: 2152.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes