Information card for entry 7218948

Structure parameters

• Common name: 3-[2-(1,3-dimethyl-benzimidazole-2-yl)-vinyl]-1-benzyl-indole iodide
• Formula: C26 H24 I N3
• Calculated formula: C26 H24 I N3
• SMILES: [I-].n1(c2ccccc2[n+](c1/C=C/c1c2ccccc2n(c1)Cc1ccccc1)C)C
• Title of publication: Synthesis, crystal structures, spectral properties of double N-alkylated dimethine cyanine dyes as well as their interaction with biomolecules and living cells
• Authors of publication: Jia, Hongliang; Lv, Ying; Wang, Shu; Sun, Dan; Wang, Lanying
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 9.676 ± 0.002 Å
• b: 5.8938 ± 0.0013 Å
• c: 19.693 ± 0.004 Å
• α: 90°
• β: 94.577 ± 0.003°
• γ: 90°
• Cell volume: 1119.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No