Information card for entry 1554710

Structure parameters

• Formula: C14 H8 F2 S2
• Calculated formula: C14 H8 F2 S2
• Title of publication: Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives
• Authors of publication: Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 780
• a: 7.4893 ± 0.0009 Å
• b: 3.8493 ± 0.0004 Å
• c: 19.835 ± 0.002 Å
• α: 90°
• β: 94.273 ± 0.004°
• γ: 90°
• Cell volume: 570.23 ± 0.11 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0902
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.342
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No