Information card for entry 2227589

Structure parameters

• Common name: work
• Chemical name: 1,1,2,2-Tetrakis(1,3-benzothiazol-2-yl)ethene chloroform disolvate
• Formula: C32 H18 Cl6 N4 S4
• Calculated formula: C32 H18 Cl6 N4 S4
• SMILES: c1ccc2c(c1)sc(n2)C(=C(c1nc2c(s1)cccc2)c1nc2c(s1)cccc2)c1nc2c(s1)cccc2.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: 1,1,2,2-Tetrakis(1,3-benzothiazol-2-yl)ethene chloroform disolvate
• Authors of publication: Hagos, Tesfamariam K.; Nogai, Stefan D.; Dobrzańska, Liliana; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2378
• a: 9.955 ± 0.002 Å
• b: 16.299 ± 0.003 Å
• c: 11.569 ± 0.002 Å
• α: 90°
• β: 115.61 ± 0.03°
• γ: 90°
• Cell volume: 1692.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes