Information card for entry 2225226

Structure parameters

• Chemical name: 2-[5-(Benzo[<i>d</i>]thiazol-2-yl)thiophen-2-yl]benzo[<i>d</i>]thiazole
• Formula: C18 H10 N2 S3
• Calculated formula: C18 H10 N2 S3
• SMILES: s1c2c(nc1c1sc(cc1)c1sc3c(n1)cccc3)cccc2
• Title of publication: 2-[5-(Benzo[<i>d</i>]thiazol-2-yl)thiophen-2-yl]benzo[<i>d</i>]thiazole
• Authors of publication: Potgieter, Kim; Mayer, Peter; Hosten, Eric; Gerber, Thomas I. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o531
• a: 15.7297 ± 0.0014 Å
• b: 8.2396 ± 0.0005 Å
• c: 12.816 ± 0.0012 Å
• α: 90°
• β: 112.872 ± 0.011°
• γ: 90°
• Cell volume: 1530.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.1102
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.72
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes